SCHEMBL5483879

SCHEMBL5483879

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TEK Q02763 4/20 0.46
BRAF P15056 7/20 0.44
CYP2C9 P11712 3/20 0.41
NR1H4 Q96RI1 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NR1I2 O75469 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 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
SCHEMBL14292730 0.86 TEK (0.45) TEKBRAFNR1H4TRPV1HDAC3
SCHEMBL4727348 0.86 TEK (0.45) TEKBRAFNR1H4TRPV1HDAC3
SCHEMBL4414872 0.84 BRAF (0.49) TEKBRAFCYP2C9NR1H4NR1I2
SCHEMBL4725070 0.84 TEK (0.46) TEKBRAFTRPV1
SCHEMBL5498870 0.83 TAS2R14 (0.46) TEKBRAFNR1H4NR1I2
SCHEMBL4410252 0.82 BRAF (0.46) TEKBRAFCYP2C9
SCHEMBL5482540 0.82 RAB9A (0.48) TEKBRAF
SCHEMBL4725698 0.81 RAF1 (0.48) TEKBRAFNR1H4
SCHEMBL4411284 0.81 KCNQ3 (0.46) TEKBRAFCYP2C9
SCHEMBL5488046 0.80 BRAF (0.44) TEKBRAFCYP2C9NR1H4

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

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