SCHEMBL4415236

SCHEMBL4415236

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1C(=O)Nc1ccc(N(C)C2CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.41
CYP2C9 P11712 4/20 0.40
FASN P49327 1/20 0.40
TEK Q02763 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
BTK Q06187 1/20 0.37
MAPK7 Q13164 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
SCHEMBL4410205 0.89 FASN (0.39) BRAFCYP2C9FASNTEKIRAK4
SCHEMBL4411284 0.84 KCNQ3 (0.46) BRAFCYP2C9TEKIRAK4BTK
SCHEMBL4415237 0.81 CRHR1 (0.44) BRAFCYP2C9TEK
SCHEMBL4414329 0.81 BRAF (0.43) BRAFCYP2C9TEKBTK
SCHEMBL4414872 0.80 BRAF (0.49) BRAFCYP2C9TEKSIRT2
SCHEMBL4410252 0.80 BRAF (0.46) BRAFCYP2C9FASNTEKIRAK4
SCHEMBL5483879 0.79 TEK (0.46) BRAFCYP2C9TEK
SCHEMBL5488046 0.78 BRAF (0.44) BRAFCYP2C9TEK
SCHEMBL4410203 0.77 HCAR3 (0.44) BRAFCYP2C9TEKIRAK4
SCHEMBL4411197 0.77 BRAF (0.35) BRAFCYP2C9BTK

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed