SCHEMBL25599717

SCHEMBL25599717

C=CC(=O)Nc1cc2nc(N3CCCC(F)C3)n(C)c2cc1N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 4/20 0.39
EGFR P00533 4/20 0.38
CSF1R P07333 1/20 0.38
MAPT P10636 4/20 0.37
POLB P06746 2/20 0.37
CTSC P53634 3/20 0.37
GAA P10253 1/20 0.37
UCHL3 P15374 1/20 0.36
CYP1A2 P05177 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL25681855 1.00 BRPF1 (0.39) BRPF1EGFRCSF1RMAPTPOLB
SCHEMBL25599780 0.94 IRAK4 (0.41) BRPF1EGFRCSF1RMAPTCTSC
SCHEMBL25682533 0.89 CCNA2 (0.39) CSF1RMAPTCTSCGAAUCHL3
SCHEMBL25599817 0.89 UCHL3 (0.37) EGFRCSF1RCTSCUCHL3
SCHEMBL25681883 0.89 BRPF1 (0.39) BRPF1EGFRMAPTPOLBCTSC
SCHEMBL25599216 0.89 CCNA2 (0.39) CSF1RMAPTCTSCGAAUCHL3
SCHEMBL25599631 0.89 CDK7 (0.38) EGFRCSF1RCTSCUCHL3
SCHEMBL25599672 0.89 CCNA2 (0.38) EGFRCSF1RUCHL3
SCHEMBL25599189 0.89 UCHL3 (0.36) EGFRCSF1RCTSCUCHL3
SCHEMBL25599771 0.88 CCNA2 (0.37) EGFRUCHL3

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