SCHEMBL6141606

SCHEMBL6141606

CC(CO)CCNc1ncnc2nc[nH]c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.68
HTT P42858 5/20 0.63
LMNA P02545 4/20 0.59
CYP1A2 P05177 4/20 0.54
CDK2 P24941 2/20 0.54
TSHR P16473 6/20 0.54
RECQL P46063 1/20 0.54
MAPK1 P28482 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
PRMT1 Q99873 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL29524840 1.00 CYP3A4 (0.68) CYP3A4HTTLMNACYP1A2CDK2
SCHEMBL30320038 0.94 CYP3A4 (0.60) CYP3A4HTTLMNACYP1A2CDK2
SCHEMBL150047 0.86 HTT (0.70) CYP3A4HTTLMNACYP1A2CDK2
SCHEMBL29612168 0.86 HTT (0.70) CYP3A4HTTLMNACYP1A2CDK2
SCHEMBL10344772 0.82 HTT (0.60) CYP3A4HTTLMNACYP1A2CDK2
SCHEMBL5628458 0.81 HTT (0.63) CYP3A4HTTLMNACYP1A2CDK2
SCHEMBL7668701 0.81 CYP3A4 (1.00) CYP3A4HTTLMNACYP1A2CDK2
SCHEMBL6141603 0.80 CYP1A2 (0.41) CYP3A4HTTLMNACYP1A2CDK2
SCHEMBL25176526 0.78 SMN1; SMN2 (0.54) CYP3A4HTTLMNACYP1A2CDK2
SCHEMBL9201457 0.78 HTT (1.00) CYP3A4HTTLMNACYP1A2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472642-A1 HETEROCYCLIC PURINE CYTOKININ DERIVATIVES, THEIR USE IN WOUND HEALING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2024-12-11 EP claimed
EP-4153592-B1 MESYLATE SALTS OF HETEROCYCLIC CYTOKININS, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF UNIV PALACKEHO (CZ) 2024-04-24 EP claimed
WO-2023078482-A1 HETEROCYCLIC PURINE CYTOKININ DERIVATIVES, THEIR USE IN WOUND HEALING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-05-11 WO claimed
EP-0884293-B1 Fertiliser compositions containing natural or synthetic aminopurine derivatives or seaweed extracts containing these products together with a calcium source SECMA BIOTECHNOLOGIES MARINES (FR) 2005-01-05 EP claimed
EP-4472642-A1 HETEROCYCLIC PURINE CYTOKININ DERIVATIVES, THEIR USE IN WOUND HEALING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2024-12-11 EP disclosed
WO-2023078482-A1 HETEROCYCLIC PURINE CYTOKININ DERIVATIVES, THEIR USE IN WOUND HEALING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-05-11 WO disclosed