SCHEMBL4411284

SCHEMBL4411284

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1C(=O)Nc1ccc(NC2CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
BRAF P15056 11/20 0.46
CYP2C9 P11712 3/20 0.46
CCR6 P51684 2/20 0.44
BTK Q06187 1/20 0.44
TEK Q02763 1/20 0.41
LCK P06239 1/20 0.39
MAPK14 Q16539 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL4414329 0.94 BRAF (0.43) KCNQ3KCNQ2BRAFCYP2C9CCR6
SCHEMBL4415237 0.88 CRHR1 (0.44) BRAFCYP2C9TEKMAPK14
SCHEMBL14534456 0.88 KCNQ3 (0.49) KCNQ3KCNQ2BRAFCYP2C9BTK
SCHEMBL4410252 0.87 BRAF (0.46) BRAFCYP2C9TEKIRAK4
SCHEMBL14534677 0.87 KCNQ3 (0.48) KCNQ3KCNQ2BRAFCYP2C9BTK
SCHEMBL5488046 0.85 BRAF (0.44) BRAFCYP2C9TEK
SCHEMBL4415236 0.84 BRAF (0.41) BRAFCYP2C9BTKTEKIRAK4
SCHEMBL4410203 0.84 HCAR3 (0.44) BRAFCYP2C9TEKIRAK4
SCHEMBL4414872 0.82 BRAF (0.49) BRAFCYP2C9TEKMAPK14
SCHEMBL14534679 0.81 KCNQ3 (0.43) KCNQ3KCNQ2BRAFCYP2C9BTK

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