SCHEMBL3256241

SCHEMBL3256241

CCC(CC)CNc1n[nH]c2c1CN(NC(=O)Nc1cc(C)ccc1C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EP300 Q09472 4/20 0.36
CREBBP Q92793 4/20 0.36
TRPV1 Q8NER1 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
SCHEMBL2924288 0.87 CCNA2 (0.42) AURKACCNA2CDK2CCNA1MEN1
SCHEMBL3256238 0.84 POLB (0.39) MEN1KMT2APOLBCYP1A2CYP3A4
SCHEMBL2920141 0.78 AURKA (0.54) AURKACCNA2CDK2CCNA1TP53
SCHEMBL3257712 0.76 CCNA2 (0.40) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL3243655 0.74 EPHX1 (0.38) RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL2924294 0.74 POLB (0.40) CCNA2CDK2MEN1KMT2APOLB
SCHEMBL2920137 0.65 NR1H4 (0.42) AURKACCNA2CDK2CCNA1MEN1
SCHEMBL3134607 0.65 CDK2 (0.59) AURKACCNA2CDK2CCNA1RAB9A
SCHEMBL2919875 0.65 CCNA2 (0.46) AURKACCNA2CDK2CCNA1MEN1
SCHEMBL4238904 0.64 CDK2 (0.58) AURKACCNA2CDK2CCNA1ALDH1A1

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-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP claimed