SCHEMBL4411197

SCHEMBL4411197

CNC(=O)c1cc(C(=O)Nc2cnc(C)c(C(=O)Nc3ccc(N(C)C4CCCO4)nc3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.35
RAF1 P04049 11/20 0.34
CYP2C9 P11712 2/20 0.34
BTK Q06187 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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) BRAFRAF1CYP2C9
SCHEMBL5484353 0.81 RAF1 (0.48) BRAFRAF1
SCHEMBL4565880 0.78 MAPK14 (0.44) BRAFRAF1
SCHEMBL14534456 0.78 KCNQ3 (0.49) BRAFCYP2C9BTKKMT2AHDAC3
SCHEMBL4419832 0.78 HDAC3 (0.42) BRAFRAF1BTKMEN1KMT2A
SCHEMBL4415236 0.77 BRAF (0.41) BRAFCYP2C9BTK
SCHEMBL14534459 0.76 BRAF (0.45) BRAFCYP2C9HDAC3HDAC6
SCHEMBL14534461 0.76 CRHR1 (0.47) BRAFCYP2C9BTKHDAC3HDAC6
SCHEMBL4551789 0.73 PDE4B (0.37) POLB
SCHEMBL4551561 0.73 RAB9A (0.38)

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
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