SCHEMBL17310018

SCHEMBL17310018

COc1cc(N2CCN(C(=O)O)CC2)ccc1-c1cnc(N)cc1-c1ccnn1-c1ccc(F)c(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 8/20 0.78
▸ CCR1 P32246 2/20 0.38
▸ TRPC6 Q9Y210 2/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ DGAT1 O75907 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
SCHEMBL17310168 0.90 ALK (0.72) ALK
SCHEMBL15933042 0.87 ALK (1.00) ALKPDE10A
SCHEMBL17310124 0.84 ALK (0.64) ALK
SCHEMBL15933040 0.81 ALK (0.88) ALKPDE10A
SCHEMBL17310036 0.80 ALK (0.70) ALKTRPC6
SCHEMBL17310234 0.79 ALK (0.60) ALK
SCHEMBL15933047 0.78 ALK (0.59) ALKPDE10A
SCHEMBL17404654 0.78 ALK (0.69) ALKPDE10A
SCHEMBL17310051 0.77 ALK (0.55) ALK
SCHEMBL15933043 0.76 ALK (1.00) ALKPDE10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2952510-B1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2018-12-26 — — EP disclosed
EP-2952510-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2015-12-09 — — EP disclosed
Send feedback