SCHEMBL4760880

SCHEMBL4760880

CN(CCCl)S(=O)(=O)c1ccc(-c2ncnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cc23)s1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.33
PTGS2 P35354 1/20 0.30

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
SCHEMBL5852092 0.92 KIT (0.36) KITPTGS2
SCHEMBL3854179 0.91 KIT (0.34) KITPTGS2
SCHEMBL3851836 0.90 ALDH1A1 (0.32) KIT
SCHEMBL3850966 0.89 KIT (0.34) KIT
SCHEMBL3848257 0.89 CYP1A2 (0.36) KIT
SCHEMBL3846696 0.88 KIT (0.35) KITPTGS2
SCHEMBL3855518 0.88 PKM (0.41) KIT
SCHEMBL3854489 0.87 PTGS2 (0.35) KITPTGS2
SCHEMBL3846935 0.86 KIT (0.34) KITPTGS2
SCHEMBL3849955 0.85 KIT (0.36) KITPTGS2

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
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed