SCHEMBL3907002

SCHEMBL3907002

C=C(C)CCNc1nc(SCc2ccccc2)nc2nc[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.48
NUDT1 P36639 1/20 0.48
IP6K1 Q92551 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
POLB P06746 1/20 0.45
PIN1 Q13526 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PAK4 O96013 2/20 0.44
MAPK1 P28482 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29404312 0.82 CYP3A4 (0.67) CDK1NUDT1IP6K1CYP1A2CYP2D6
SCHEMBL101669 0.82 CYP3A4 (0.67) CDK1NUDT1IP6K1CYP1A2CYP2D6
SCHEMBL3002688 0.78 POLB (0.52) CDK1NUDT1PDE4APDE4BPDE4C
SCHEMBL29249244 0.76 CYP3A4 (0.45) CDK1NUDT1IP6K1CYP1A2CYP2D6
SCHEMBL30150726 0.75 CYP3A4 (0.44) CDK1NUDT1IP6K1CYP1A2CYP2D6
SCHEMBL740822 0.75 PIN1 (0.56) CDK1NUDT1CYP1A2CYP2D6CYP3A4
SCHEMBL774658 0.74 SMN1; SMN2 (0.53) CDK1IP6K1CYP1A2CYP2D6PDE4A
SCHEMBL741057 0.72 PIN1 (0.56) CDK1NUDT1CYP1A2CYP2D6CYP3A4
SCHEMBL16341910 0.71 CYP1A2 (0.53) CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL28996831 0.71 CYP1A2 (0.55) CDK1CYP1A2CYP2D6CYP3A4CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090214710-A1 Methods and Compositions For Increasing Fermentation of a Microorganism VDF FUTURECEUTICALS, INC. (US) 2009-08-27 US claimed
WO-2005020892-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION MITOCHROMA RESEARCH, INC. (US) 2005-03-10 WO claimed
US-20050042327-A1 Methods and compositions for increasing fermentation of a microorganism VDF FUTURECEUTICALS 2005-02-24 US claimed
US-20250359548-A1 METHODS OF IMPROVING STRESS TOLERANCE, GROWTH AND YIELD IN PLANTS VALENT BIOSCIENCES LLC (US) 2025-11-27 US disclosed
US-12402623-B2 Methods of improving stress tolerance, growth and yield in plants VALENT BIOSCIENCES LLC (US) 2025-09-02 US disclosed
US-20240057597-A1 METHODS OF IMPROVING STRESS TOLERANCE, GROWTH AND YIELD IN PLANTS VALENT BIOSCIENCES LLC (US) 2024-02-22 US disclosed
US-11812745-B2 Method of improving stress tolerance, growth and yield in plants VALENT BIOSCIENCES LLC (US) 2023-11-14 US disclosed
EP-4106523-A1 METHODS OF IMPROVING STRESS TOLERANCE, GROWTH AND YIELD IN PLANTS Valent BioSciences LLC (US) 2022-12-28 EP disclosed
US-20090214710-A1 Methods and Compositions For Increasing Fermentation of a Microorganism VDF FUTURECEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090208620-A1 Alimentary Compositions and Methods For Metabolic Modulation VDF FUTURECEUTICALS, INC. (US) 2009-08-20 US disclosed
US-20070184067-A1 Alimentary compositions and methods for metabolic modulation VDF FUTURECEUTICALS 2007-08-09 US disclosed
WO-2005020892-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION MITOCHROMA RESEARCH, INC. (US) 2005-03-10 WO disclosed
US-20050042327-A1 Methods and compositions for increasing fermentation of a microorganism VDF FUTURECEUTICALS 2005-02-24 US disclosed
WO-2005016268-A2 ALIMENTARY COMPOSITIONS AND METHODS FOR METABOLIC MODULATION MITOCHROMA RESEARCH, INC. (US) 2005-02-24 WO disclosed