SCHEMBL22341877

SCHEMBL22341877

COc1cc(C)cc(-c2cc(C)cc3nc(C(F)(F)OC)cnc23)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 11/20 0.47
ROS1 P08922 1/20 0.34
FGFR1 P11362 2/20 0.33
NT5E P21589 1/20 0.32
POLQ O75417 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL19783549 0.79 F2RL3 (0.66) F2RL3
SCHEMBL19782608 0.77 F2RL3 (0.33) F2RL3
SCHEMBL20435308 0.76 F2RL3 (0.79) F2RL3
SCHEMBL19782609 0.74 F2RL3 (0.32) F2RL3
SCHEMBL30189890 0.71 F2RL3 (0.33) F2RL3
SCHEMBL21379630 0.70 F2RL3 (0.56) F2RL3
SCHEMBL18425079 0.69 F2RL3 (0.74) F2RL3
SCHEMBL20435306 0.66 F2RL3 (0.65) F2RL3TP53NFKB1NFKB2RELA
SCHEMBL9086704 0.66 ADORA2A (0.43) F2RL3ALDH1A1HPGD
SCHEMBL22341987 0.65 F2RL3 (0.46) F2RL3MAOB

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
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed