SCHEMBL24156426

SCHEMBL24156426

COc1ccc(CNc2cc(Nc3cccc([S+](C)[O-])c3)c(Br)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.52
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CLK4 Q9HAZ1 4/20 0.39
▸ DYRK1A Q13627 3/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ MAP2K7 O14733 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CDK1 P06493 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ PTGDR Q13258 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ SLC2A1 P11166 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
SCHEMBL24156425 0.82 EGFR (0.51) EGFRNPC1RAB9AKMT2AMAP2K7
SCHEMBL24156389 0.80 PDE2A (0.41) EGFRNPC1RAB9AKMT2ACLK4
SCHEMBL24156732 0.74 EGFR (0.38) EGFRIGF1RMAPTGAACDK1
SCHEMBL16201834 0.73 NPC1 (0.51) EGFRNPC1RAB9AKMT2ACLK4
SCHEMBL20489451 0.72 KMT2A (0.52) EGFRNPC1RAB9AKMT2ACLK4
SCHEMBL20489657 0.69 NPC1 (0.50) EGFRNPC1RAB9AKMT2ACLK4
SCHEMBL15059077 0.69 RAB9A (0.51) EGFRNPC1RAB9AKMT2AMAP2K7
SCHEMBL2994863 0.68 EGFR (1.00) EGFRKMT2AMEN1
SCHEMBL20489500 0.66 MAPT (0.57) EGFRNPC1RAB9AKMT2ACLK4
SCHEMBL1083657 0.66 NPC1 (0.62) EGFRNPC1RAB9AKMT2ACLK4

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-2021259208-A1 TYK-2 INHIBITOR BEIGENE, LTD. (KY) 2021-12-30 — — WO disclosed
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