SCHEMBL9688963

SCHEMBL9688963

CCN(C)c1cccnc1N(C)CCN(C)C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 16/20 0.43
CCND1 P24385 16/20 0.43
CDK2 P24941 3/20 0.42
HTR2C P28335 1/20 0.42
PBRM1 Q86U86 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9687990 0.94 HTR2C (0.43) CDK4CCND1CDK2HTR2CPBRM1
SCHEMBL9689717 0.88 CDK4 (0.40) CDK4CCND1SMN1; SMN2
SCHEMBL9690016 0.86 KMT2A (0.48) CDK4CCND1HTR2CNPC1RAB9A
SCHEMBL9037086 0.84 CDK4 (0.42) CDK4CCND1CDK2HTR2CNPC1
SCHEMBL9688745 0.84 CDK4 (0.45) CDK4CCND1CDK2HTR2C
SCHEMBL8985884 0.82 MAPT (0.48) CDK4CCND1CDK2HTR2CNPC1
SCHEMBL9038237 0.81 CDK4 (0.41) CDK4CCND1CDK2HTR2C
SCHEMBL9242994 0.81 KMT2A (0.47) CDK4CCND1HTR2CNPC1RAB9A
SCHEMBL27275913 0.76 CDK4 (0.58) CDK4CCND1CDK2HTR2CPBRM1
SCHEMBL9036372 0.76 HTR2C (0.41) CDK4CCND1CDK2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507861-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS. UPJOHN CO (US) 1992-10-14 EP claimed