SCHEMBL17021400

SCHEMBL17021400

NC(=O)C1=C(NCc2cccc(F)c2)C=C(Nc2ncc(C(=O)N3CCOCC3)s2)NN1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 11/20 0.45
▸ STAT6 P42226 2/20 0.43
▸ SRC P12931 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL17021271 0.79 NTRK1 (0.46) NTRK1STAT6SRCRIPK1KDM4E
SCHEMBL19010318 0.74 NTRK1 (0.46) NTRK1STAT6SRCRIPK1KDM4E
SCHEMBL17021421 0.74 NTRK1 (0.49) NTRK1STAT6
SCHEMBL17021319 0.69 SIRT2 (0.45) SRCKDM4E
SCHEMBL17021437 0.67 NTRK1 (0.40) NTRK1STAT6
SCHEMBL12789100 0.65 TRPM8 (0.64) RIPK1HTR2CTRPM8
SCHEMBL1658127 0.64 GRM5 (0.59) RIPK1HTR2CTRPM8
SCHEMBL23213621 0.64 HPGD (0.54) RIPK1MAPTHTR2C
SCHEMBL17021272 0.63 NTRK1 (0.59) NTRK1STAT6MAPT
SCHEMBL17021409 0.63 STAT6 (0.46) STAT6KDM4E

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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