SCHEMBL25599705

SCHEMBL25599705

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 1/20 0.35
CTSC P53634 3/20 0.35
EGFR P00533 3/20 0.35
KDR P35968 3/20 0.35
MAPK3 P27361 10/20 0.34
CSF1R P07333 1/20 0.33
MCHR1 Q99705 1/20 0.33
CCNK O75909 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
CDK12 Q9NYV4 1/20 0.33

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
SCHEMBL25681841 0.92 CTSC (0.35) UCHL3CTSCEGFRKDRMAPK3
SCHEMBL25682533 0.88 CCNA2 (0.39) UCHL3CTSCCSF1RCCNKCCNA2
SCHEMBL25599817 0.88 UCHL3 (0.37) UCHL3CTSCEGFRKDRCSF1R
SCHEMBL25599216 0.88 CCNA2 (0.39) UCHL3CTSCCSF1RCCNKCCNA2
SCHEMBL25599631 0.88 CDK7 (0.38) UCHL3CTSCEGFRKDRCSF1R
SCHEMBL25599189 0.87 UCHL3 (0.36) UCHL3CTSCEGFRKDRMAPK3
SCHEMBL25599717 0.87 BRPF1 (0.39) UCHL3CTSCEGFRCSF1R
SCHEMBL25681855 0.87 BRPF1 (0.39) UCHL3CTSCEGFRCSF1R
SCHEMBL25599672 0.87 CCNA2 (0.38) UCHL3EGFRMAPK3CSF1RCCNK
SCHEMBL25599623 0.86 FGFR4 (0.36) UCHL3CTSCEGFRKDRCSF1R

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