SCHEMBL7570980

SCHEMBL7570980

Nc1nc2c(c(=O)[nH]1)NCN2CCC(=O)NCCN1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 6/20 0.48
MAPT P10636 4/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15 P16050 2/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
USP2 O75604 1/20 0.36
PARP1 P09874 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35

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
SCHEMBL7571914 0.99 HPRT1 (0.49) HPRT1MAPTCYP2D6CYP1A2TSHR
SCHEMBL7567185 0.90 HPRT1 (0.47) HPRT1CYP2D6CYP1A2CYP2C19MEN1
SCHEMBL7575108 0.86 HPRT1 (0.53) HPRT1
SCHEMBL7568062 0.84 HPRT1 (0.48) HPRT1CYP1A2MEN1KMT2ACYP3A4
SCHEMBL7576799 0.84 HPRT1 (0.51) HPRT1MEN1KMT2ALMNA
SCHEMBL7567089 0.83 HPRT1 (0.54) HPRT1USP2HSD17B10
SCHEMBL7570941 0.82 HPRT1 (0.49) HPRT1
SCHEMBL7572274 0.82 HPRT1 (0.49) HPRT1
SCHEMBL7588286 0.82 HPRT1 (0.46) HPRT1TSHRMEN1KMT2ALMNA
SCHEMBL7570961 0.82 HPRT1 (0.46) HPRT1TSHRMEN1KMT2AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237890-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES Neotherapeutics, Inc. (US) 2002-09-11 EP claimed
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US claimed
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO claimed