SCHEMBL25599228

SCHEMBL25599228

C=CC(=O)Nc1cc2nc(N3CCC(F)CC3)n(C)c2cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 1/20 0.40
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CDK7 P50613 3/20 0.39
CCNH P51946 3/20 0.39
MNAT1 P51948 3/20 0.39
PTGES O14684 2/20 0.38
CCNK O75909 2/20 0.38
CDK12 Q9NYV4 2/20 0.38
CTSC P53634 6/20 0.37
TRPV1 Q8NER1 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CTSB P07858 3/20 0.36
BTK Q06187 1/20 0.36
MAPK3 P27361 2/20 0.35
CTSL P07711 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
EGFR P00533 1/20 0.35
MAPK1 P28482 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
SCHEMBL25599985 0.91 CTSC (0.41) UCHL3CCNA2CDK2CDK7CCNH
SCHEMBL25599226 0.89 BTK (0.43) UCHL3CCNA2CDK2CDK7CCNH
SCHEMBL25682533 0.89 CCNA2 (0.39) UCHL3CCNA2CDK2CDK7CCNH
SCHEMBL25599216 0.89 CCNA2 (0.39) UCHL3CCNA2CDK2CDK7CCNH
SCHEMBL25599220 0.87 UCHL3 (0.39) UCHL3CCNA2CDK2CDK7CCNH
SCHEMBL25682250 0.83 CTSC (0.47) UCHL3CCNA2CDK2CDK7CCNH
SCHEMBL25599169 0.83 CTSC (0.47) UCHL3CCNA2CDK2CDK7CCNH
SCHEMBL25682448 0.83 CCNA2 (0.39) UCHL3CCNA2CDK2CDK7CCNH
SCHEMBL25599144 0.81 MAPT (0.45) HDAC6
SCHEMBL25599412 0.81 CTSC (0.40) UCHL3CCNA2CDK2CDK7CCNH

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
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 WO disclosed