SCHEMBL29914577

SCHEMBL29914577

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.47
ACVR1 Q04771 8/20 0.47
FYN P06241 7/20 0.42
MAP3K12 Q12852 2/20 0.41
JAK2 O60674 1/20 0.41
USP30 Q70CQ3 1/20 0.40
RIPK2 O43353 1/20 0.40
NOD2 Q9HC29 1/20 0.40
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
ACVRL1 P37023 1/20 0.39

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
SCHEMBL24681270 1.00 TGFBR1 (0.47) TGFBR1ACVR1FYNMAP3K12JAK2
SCHEMBL29914448 1.00 TGFBR1 (0.47) TGFBR1ACVR1FYNMAP3K12JAK2
SCHEMBL24681281 1.00 TGFBR1 (0.47) TGFBR1ACVR1FYNMAP3K12JAK2
SCHEMBL29914473 0.83 MAP3K12 (0.45) TGFBR1ACVR1FYNMAP3K12JAK2
SCHEMBL24681263 0.83 MAP3K12 (0.45) TGFBR1ACVR1FYNMAP3K12JAK2
SCHEMBL29914559 0.83 MAP3K12 (0.45) TGFBR1ACVR1FYNMAP3K12JAK2
SCHEMBL24680772 0.83 MAP3K12 (0.45) TGFBR1ACVR1FYNMAP3K12JAK2
SCHEMBL24681282 0.81 ACVR1 (0.42) TGFBR1ACVR1FYNMAP3K12JAK2
SCHEMBL24681257 0.80 JAK2 (0.47) TGFBR1ACVR1FYNMAP3K12JAK2
SCHEMBL29914411 0.80 JAK2 (0.47) TGFBR1ACVR1FYNMAP3K12JAK2

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