SCHEMBL5229161

SCHEMBL5229161

Cn1nc(C(=O)O)c2c1-c1c(Nc3ccccc3)n[nH]c1CC2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.54
CCNA2 P20248 12/20 0.54
CCNA1 P78396 11/20 0.54
AURKA O14965 8/20 0.54
PLK1 P53350 4/20 0.54
EP300 Q09472 5/20 0.51
CREBBP Q92793 5/20 0.51
BRD4 O60885 1/20 0.51
CDK4 P11802 4/20 0.45
CCND3 P30281 4/20 0.45
CDK6 Q00534 4/20 0.45
TTK P33981 3/20 0.45
PLK3 Q9H4B4 1/20 0.45
PLK2 Q9NYY3 1/20 0.45
FLT3 P36888 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
SCHEMBL5226915 0.91 CDK2 (0.56) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL5228750 0.87 CDK2 (0.59) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL5229361 0.85 EP300 (0.45) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL5227516 0.75 CDK2 (0.58) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL5225030 0.74 CCNA2 (0.47) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL4154945 0.70 CDK2 (1.00) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL5228949 0.70 EP300 (0.41) EP300CREBBPBRD4FLT3
SCHEMBL2187536 0.68 CDK2 (0.56) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL17794885 0.68 CREBBP (1.00) CDK2CCNA2CCNA1AURKAEP300
SCHEMBL5233166 0.67 CCNA2 (0.78) CDK2CCNA2CCNA1

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-1478357-B1 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-01-31 EP claimed