SCHEMBL13821203

SCHEMBL13821203

C#CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cc(NC(=O)NC)c4nccn4n3)c2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.55
RAF1 P04049 7/20 0.40
BRAF P15056 5/20 0.40
SYK P43405 2/20 0.40

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
SCHEMBL4095557 0.92 BTK (0.55) BTKRAF1BRAFSYK
SCHEMBL4090528 0.91 BTK (0.65) BTKSYK
SCHEMBL4091766 0.90 BTK (0.58) BTKRAF1BRAFSYK
SCHEMBL4081255 0.87 BTK (0.55) BTKRAF1BRAFSYK
SCHEMBL4090445 0.85 BTK (0.54) BTKRAF1BRAFSYK
SCHEMBL4095483 0.85 BTK (0.65) BTK
SCHEMBL4086089 0.84 BTK (0.52) BTKSYK
SCHEMBL13771312 0.84 BTK (0.55) BTKRAF1BRAFSYK
SCHEMBL4086761 0.83 BTK (0.54) BTKRAF1BRAFSYK
SCHEMBL4095844 0.83 BTK (0.51) BTKSYK

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-2009077334-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed