SCHEMBL4412446

SCHEMBL4412446

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1C(=O)Nc1ccc(OCc2ccnc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FLT1 P17948 1/20 0.41
TEK Q02763 1/20 0.40
BRAF P15056 7/20 0.40
OPRL1 P41146 2/20 0.40
NR1H4 Q96RI1 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CYP2C9 P11712 3/20 0.38
MALT1 Q9UDY8 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
SCHEMBL5482540 0.87 RAB9A (0.48) ALOX15HSD17B10TEKBRAF
SCHEMBL4410077 0.86 MAPK14 (0.43) ALOX15HSD17B10TEKBRAFNR1H4
SCHEMBL4411102 0.86 MAPK14 (0.42) KDRFLT1OPRL1MALT1
SCHEMBL4417839 0.84 MAPK14 (0.45) ALOX15HSD17B10TEKBRAF
SCHEMBL4414872 0.83 BRAF (0.49) TEKBRAFNR1H4CYP2C9
SCHEMBL4408299 0.79 MAPK14 (0.42)
SCHEMBL4565711 0.77 TEK (0.41) TEKBRAFNR1H4
SCHEMBL5496963 0.76 MAPK14 (0.44)
SCHEMBL4729472 0.76 RAB9A (0.44) TEKBRAFNR1H4
SCHEMBL5483879 0.76 TEK (0.46) TEKBRAFNR1H4TRPV1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed