SCHEMBL29947259

SCHEMBL29947259

COc1c(N)cc(F)cc1-c1cnn(C)n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.33
TYK2 P29597 3/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
AOC3 Q16853 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
BRD4 O60885 1/20 0.30
BRD3 Q15059 1/20 0.30

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
SCHEMBL24776105 1.00 FYN (0.33) FYNTYK2MEN1POLBMAPT
SCHEMBL24776196 0.84 TYK2 (0.33) FYNTYK2CHRM2CHRM3BRD4
SCHEMBL24823032 0.84 FYN (0.32) FYNTYK2MEN1MAPTKMT2A
SCHEMBL24822793 0.83 KDM4E (0.31) FYNTYK2CHRM2CHRM3BRD4
SCHEMBL30079510 0.83 KDM4E (0.31) FYNTYK2CHRM2CHRM3BRD4
SCHEMBL30079478 0.81 PTGS2 (0.36) TYK2AOC3BRD4BRD3
SCHEMBL24823040 0.81 PTGS2 (0.36) TYK2AOC3BRD4BRD3
SCHEMBL24823464 0.80 NLRP3 (0.33) FYNALOX5APFEN1
SCHEMBL24822798 0.80 TYK2 (0.31) TYK2
SCHEMBL24822792 0.80

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4337648-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2024-03-20 EP disclosed
CN-117355514-A Substituted heterocyclic compounds 百时美施贵宝公司 2024-01-05 CN disclosed
WO-2022241174-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-11-17 WO disclosed