SCHEMBL29914435

SCHEMBL29914435

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 7/20 0.41
▸ TGFBR1 P36897 5/20 0.41
▸ RIPK2 O43353 3/20 0.40
▸ NOD2 Q9HC29 3/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ BMPR1B O00238 2/20 0.40
▸ BMPR1A P36894 2/20 0.40
▸ ACVRL1 P37023 2/20 0.40
▸ FYN P06241 2/20 0.39
▸ SMO Q99835 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ ATR Q13535 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ ALOX5AP P20292 1/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ MINK1 Q8N4C8 1/20 0.37
▸ TNIK Q9UKE5 1/20 0.37
▸ KCNH2 Q12809 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
SCHEMBL29914621 1.00 ACVR1 (0.41) ACVR1TGFBR1RIPK2NOD2GPR119
SCHEMBL24680790 1.00 ACVR1 (0.41) ACVR1TGFBR1RIPK2NOD2GPR119
SCHEMBL29914498 0.83 ACVR1 (0.41) ACVR1TGFBR1RIPK2NOD2GPR119
SCHEMBL24681618 0.83 ACVR1 (0.41) ACVR1TGFBR1RIPK2NOD2GPR119
SCHEMBL29914391 0.83 ACVR1 (0.41) ACVR1TGFBR1RIPK2NOD2GPR119
SCHEMBL24680772 0.81 MAP3K12 (0.45) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL24681263 0.81 MAP3K12 (0.45) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL29914473 0.81 MAP3K12 (0.45) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL29914559 0.81 MAP3K12 (0.45) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL24681282 0.80 ACVR1 (0.42) ACVR1TGFBR1RIPK2NOD2BMPR1B

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
Send feedback