SCHEMBL17021382

SCHEMBL17021382

CS(=O)(=O)Cc1ccc(Nc2cc(NCc3cccc(F)c3)c(C(=O)I)nn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.41
▸ NTRK1 P04629 6/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ KDM5A P29375 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ MET P08581 3/20 0.36
▸ KDR P35968 3/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ RPS6KB1 P23443 2/20 0.36

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
SCHEMBL19010335 0.92 FFAR1 (0.41) FFAR1NTRK1CDK9EPHX2PPARG
SCHEMBL17021356 0.91 CDC7 (0.43) FFAR1NTRK1EPHX2PPARGJAK3
SCHEMBL17021375 0.83 JAK3 (0.44) NTRK1CDK9JAK3CDC7ROCK2
SCHEMBL19010340 0.83 FFAR1 (0.44) FFAR1NTRK1CDK9KDM5AKDM4C
SCHEMBL17021380 0.82 FFAR1 (0.44) FFAR1NTRK1KDM5AKDM4CKDM5B
SCHEMBL19010334 0.81 NTRK1 (0.42) FFAR1NTRK1KDM5AKDM4CKDM5B
SCHEMBL17021366 0.80 JAK3 (0.44) NTRK1JAK3CDC7ROCK2MAP4K4
SCHEMBL19010328 0.79 FFAR1 (0.40) FFAR1NTRK1KDM5AKDM4CKDM5B
SCHEMBL17021433 0.79 CD38 (0.41) JAK3MET
SCHEMBL17021385 0.78 PTK2 (0.39) FFAR1NTRK1KDM5AKDM4CKDM5B

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-2015123453-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-20 — — WO disclosed
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