SCHEMBL29914498

SCHEMBL29914498

CN([C@@H]1CCN(c2ccc(-c3cnc(N)c(Cl)c3)cc2)C1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 5/20 0.41
▸ TGFBR1 P36897 3/20 0.41
▸ RIPK2 O43353 2/20 0.40
▸ NOD2 Q9HC29 2/20 0.40
▸ BMPR1B O00238 2/20 0.40
▸ BMPR1A P36894 2/20 0.40
▸ ACVRL1 P37023 2/20 0.40
▸ SYK P43405 1/20 0.40
▸ FYN P06241 1/20 0.39
▸ PIK3CD O00329 4/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ NPY5R Q15761 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.37

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
SCHEMBL29914391 1.00 ACVR1 (0.41) ACVR1TGFBR1RIPK2NOD2BMPR1B
SCHEMBL24681618 1.00 ACVR1 (0.41) ACVR1TGFBR1RIPK2NOD2BMPR1B
SCHEMBL29914621 0.83 ACVR1 (0.41) ACVR1TGFBR1RIPK2NOD2BMPR1B
SCHEMBL24680790 0.83 ACVR1 (0.41) ACVR1TGFBR1RIPK2NOD2BMPR1B
SCHEMBL29914435 0.83 ACVR1 (0.41) ACVR1TGFBR1RIPK2NOD2BMPR1B
SCHEMBL27157872 0.83 SYK (0.41) SYKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL27157883 0.83 SYK (0.41) SYKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL27157857 0.83 SYK (0.41) SYKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24680772 0.78 MAP3K12 (0.45) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL24681263 0.78 MAP3K12 (0.45) ACVR1TGFBR1BMPR1BBMPR1AACVRL1

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-2022226667-A1 SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 — — WO disclosed
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