SCHEMBL9688745

SCHEMBL9688745

CCN(C)c1cccnc1OCCN(C)C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 15/20 0.45
CCND1 P24385 15/20 0.45
CDK2 P24941 3/20 0.43
HTR2C P28335 1/20 0.43
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NR4A2 P43354 1/20 0.39
CREBBP Q92793 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
SCHEMBL9688963 0.84 CDK4 (0.43) CDK4CCND1CDK2HTR2C
SCHEMBL9687990 0.82 HTR2C (0.43) CDK4CCND1CDK2HTR2C
SCHEMBL9036635 0.81 CDK4 (0.43) CDK4CCND1CDK2HTR2CNR4A2
SCHEMBL13763424 0.74 PBRM1 (0.58) CDK4CCND1ALDH1A1NR4A2CREBBP
SCHEMBL29336534 0.73 CDK4 (0.55) CDK4CCND1CDK2
SCHEMBL9690016 0.73 KMT2A (0.48) CDK4CCND1HTR2CALDH1A1MAPT
SCHEMBL9037086 0.72 CDK4 (0.42) CDK4CCND1CDK2HTR2CMAPT
SCHEMBL9689717 0.72 CDK4 (0.40) CDK4CCND1ALDH1A1
SCHEMBL27275913 0.72 CDK4 (0.58) CDK4CCND1CDK2HTR2CALDH1A1
SCHEMBL9242994 0.72 KMT2A (0.47) CDK4CCND1HTR2CALDH1A1MAPT

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