SCHEMBL6821052

SCHEMBL6821052

CCCn1cnc2c(NC(Cl)c3ccccc3)nc(Cl)nc21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 9/20 0.53
CTSL P07711 1/20 0.53
CDK1 P06493 2/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CCNA1 P78396 1/20 0.46
CACNA1B Q00975 1/20 0.46
TMIGD3 P0DMS9 3/20 0.46
ADORA2A P29274 3/20 0.46
ADORA1 P30542 3/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 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
SCHEMBL19763769 0.90 YTHDC1 (0.54) YTHDC1CTSLCDK1CCNA2CDK2
SCHEMBL17628575 0.84 YTHDC1 (0.53) YTHDC1CTSLCDK1CCNA2CDK2
SCHEMBL17628619 0.81 YTHDC1 (0.57) YTHDC1CDK1CCNA2CDK2CCNA1
SCHEMBL6817859 0.79 CDK1 (0.74) YTHDC1CTSLCDK1CCNA2CDK2
Hydrochloric Acid SCHEMBL6822218 0.78 CCNE1 (0.64) CDK1CCNA2CDK2CCNA1
SCHEMBL17628580 0.77 TMIGD3 (0.70) YTHDC1CTSLCDK1CCNA2CDK2
SCHEMBL17628578 0.76 CDK1 (0.65) YTHDC1CTSLCDK1CCNA2CDK2
SCHEMBL17639877 0.73 CDK1 (0.62) YTHDC1CDK1CCNA2CDK2CCNA1
SCHEMBL6817839 0.73 HDAC1 (0.67) YTHDC1CTSLTMIGD3ADORA2AADORA1
SCHEMBL24422306 0.72 CTSL (0.52) YTHDC1CTSLCDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056745-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2004-06-16 EP disclosed
US-6413974-B1 INHIBITORS OF CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; PREVENTING APOPTOSIS IN NEURONAL CELLS; ANTINEOPLASTIC AGENTS; NEURONAL INJURY AND DEGENERATION; CEREBROVASCULAR DISEASE AVENTIS PHARMACEUTICALS INC. 2002-07-02 US disclosed
EP-1056745-A2 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-1999043676-A2 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed