SCHEMBL4415237

SCHEMBL4415237

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1C(=O)Nc1ccc(NCC2CC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.44
BRAF P15056 10/20 0.43
CYP2C9 P11712 3/20 0.43
TEK Q02763 1/20 0.40
CHEK1 O14757 1/20 0.38
MAPK14 Q16539 1/20 0.36
VNN1 O95497 1/20 0.36

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
SCHEMBL4410203 0.89 HCAR3 (0.44) BRAFCYP2C9TEKCHEK1
SCHEMBL14534461 0.88 CRHR1 (0.47) CRHR1BRAFCYP2C9MAPK14
SCHEMBL4411284 0.88 KCNQ3 (0.46) BRAFCYP2C9TEKMAPK14
SCHEMBL14534678 0.88 CRHR1 (0.46) CRHR1BRAFCYP2C9MAPK14
SCHEMBL5488046 0.87 BRAF (0.44) BRAFCYP2C9TEK
SCHEMBL4414329 0.85 BRAF (0.43) BRAFCYP2C9TEK
SCHEMBL4410252 0.84 BRAF (0.46) BRAFCYP2C9TEK
SCHEMBL14534446 0.82 BRAF (0.43) BRAFCYP2C9TEK
SCHEMBL4415236 0.81 BRAF (0.41) BRAFCYP2C9TEK
SCHEMBL4414872 0.80 BRAF (0.49) BRAFCYP2C9TEKMAPK14

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