SCHEMBL13745103

SCHEMBL13745103

O=C(Nc1ccnc(F)c1)c1cnc2c(NC3CC3)cc(NC3CCCCC3)nn12

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 14/20 0.63
▸ TTK P33981 3/20 0.44
▸ STAT3 P40763 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ S1PR1 P21453 2/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.41

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
SCHEMBL3731596 0.93 TYK2 (0.53) TYK2STAT3PDE4D
SCHEMBL3731587 0.93 TYK2 (0.53) TYK2STAT3PDE4D
SCHEMBL13013308 0.93 TYK2 (0.53) TYK2STAT3PDE4D
SCHEMBL13013392 0.92 TYK2 (0.55) TYK2STAT3PDE4D
SCHEMBL3721108 0.92 TYK2 (0.55) TYK2STAT3PDE4D
SCHEMBL3721100 0.92 TYK2 (0.55) TYK2STAT3PDE4D
SCHEMBL13062593 0.91 TYK2 (0.52) TYK2TTKSTAT3PDE4D
SCHEMBL14732099 0.91 TYK2 (0.52) TYK2TTKSTAT3PDE4D
SCHEMBL14732080 0.91 TYK2 (0.52) TYK2STAT3PDE4D
SCHEMBL14732081 0.91 TYK2 (0.52) TYK2STAT3PDE4D

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-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 — — EP disclosed
WO-2009100375-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 — — WO disclosed
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