SCHEMBL4418552

SCHEMBL4418552

Cc1ccc(NC(=O)c2cc(C#N)cc(N3CCCC3)c2)cc1-c1cc(C(=O)NCc2cccnc2)on1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.44
TEK Q02763 6/20 0.42
DHODH Q02127 1/20 0.42
BRAF P15056 3/20 0.41
RAF1 P04049 2/20 0.40
NAMPT P43490 3/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL4416214 0.99 MAPK14 (0.43) MAPK14TEKDHODHBRAFRAF1
SCHEMBL4408316 0.95 MAPK14 (0.49) MAPK14BRAFRAF1NAMPTTP53
SCHEMBL4410223 0.89 MAPK14 (0.47) MAPK14TEKDHODHBRAFRAF1
SCHEMBL4411272 0.89 MAPK14 (0.46) MAPK14TEKDHODHBRAFRAF1
SCHEMBL4408497 0.88 MAPK14 (0.48) MAPK14BRAFRAF1NPC1
SCHEMBL4419873 0.88 RAF1 (0.52) MAPK14TEKBRAFRAF1
SCHEMBL4415069 0.87 MAPK14 (0.47) MAPK14BRAFRAF1NPC1
SCHEMBL4412830 0.87 RAF1 (0.52) MAPK14TEKBRAFRAF1
SCHEMBL5593016 0.86 TEK (0.53) TEKBRAFNAMPTNPC1ALDH1A1
SCHEMBL4409551 0.86 RAF1 (0.43) BRAFRAF1

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 3 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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed