SCHEMBL25599216

SCHEMBL25599216

C=CC(=O)Nc1cc2nc(N3CCCC(F)C3)n(C)c2cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 6/20 0.39
CDK2 P24941 6/20 0.39
CDK7 P50613 6/20 0.39
CCNH P51946 6/20 0.39
MNAT1 P51948 6/20 0.39
CTSC P53634 5/20 0.38
CCNK O75909 3/20 0.37
CDK12 Q9NYV4 3/20 0.37
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
UCHL3 P15374 1/20 0.37
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BTK Q06187 1/20 0.35
RAB9A P51151 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
SCHEMBL25682533 1.00 CCNA2 (0.39) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25599631 0.90 CDK7 (0.38) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25599817 0.90 UCHL3 (0.37) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25681855 0.89 BRPF1 (0.39) CTSCUCHL3CTSLCTSBCYP1A2
SCHEMBL25599189 0.89 UCHL3 (0.36) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25599672 0.89 CCNA2 (0.38) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25599169 0.89 CTSC (0.47) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25682448 0.89 CCNA2 (0.39) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25682250 0.89 CTSC (0.47) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25599228 0.89 UCHL3 (0.40) CCNA2CDK2CDK7CCNHMNAT1

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