SCHEMBL5488046

SCHEMBL5488046

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.44
CYP2C9 P11712 5/20 0.44
TEK Q02763 1/20 0.40
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
NR1H4 Q96RI1 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
SCHEMBL14534446 0.94 BRAF (0.43) BRAFCYP2C9TEKHCAR3HCAR2
SCHEMBL4410252 0.89 BRAF (0.46) BRAFCYP2C9TEK
SCHEMBL14534457 0.88 BRAF (0.43) BRAFCYP2C9HCAR3HCAR2AURKA
SCHEMBL14534685 0.87 BRAF (0.41) BRAFCYP2C9HCAR3HCAR2AURKA
SCHEMBL4415237 0.87 CRHR1 (0.44) BRAFCYP2C9TEK
SCHEMBL4411284 0.85 KCNQ3 (0.46) BRAFCYP2C9TEK
SCHEMBL4410203 0.82 HCAR3 (0.44) BRAFCYP2C9TEKHCAR3
SCHEMBL4414329 0.81 BRAF (0.43) BRAFCYP2C9TEK
SCHEMBL4414872 0.81 BRAF (0.49) BRAFCYP2C9TEKNR1H4
SCHEMBL5483879 0.80 TEK (0.46) BRAFCYP2C9TEKNR1H4

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

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