SCHEMBL24156732

SCHEMBL24156732

C[S+]([O-])c1cccc(Nc2cc(Cl)ncc2Br)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.38
▸ IGF1R P08069 2/20 0.36
▸ SYK P43405 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CDK1 P06493 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ KAT2B Q92831 1/20 0.31
▸ BRD9 Q9H8M2 1/20 0.31
▸ FADS1 O60427 1/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ PTK6 Q13882 1/20 0.31
▸ PTGS1 P23219 2/20 0.30
▸ PTGS2 P35354 2/20 0.30
▸ GAA P10253 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ GAK O14976 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL24156731 0.74 TNNI3K (0.46) CDK1PTGS1PTGS2
SCHEMBL24156426 0.74 EGFR (0.52) EGFRIGF1RCDK1GAAMAPT
SCHEMBL10036952 0.65 DHODH (0.35) EGFRIGF1RCDK1GAK
SCHEMBL26598725 0.65 LRRK2 (0.34) IGF1RKAT2BBRD9
SCHEMBL6848815 0.65 TSHR (0.41) BRD4
SCHEMBL6847221 0.65 TSHR (0.41) BRD4
SCHEMBL4414965 0.65 HSD17B14 (0.39) MAPTKDM4E
Hydrochloric Acid SCHEMBL6846381 0.64 TSHR (0.39) BRD4
Hydrochloric Acid SCHEMBL6841993 0.64 TSHR (0.39) BRD4
SCHEMBL21597191 0.63 — —

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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