SCHEMBL29200664

SCHEMBL29200664

CSc1cc(C(C)N)ccn1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.34
ADRB2 P07550 1/20 0.33
CIT O14578 1/20 0.33
CBLB Q13191 1/20 0.31

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
SCHEMBL19773692 0.84 ALDH1A1 (0.35)
SCHEMBL17000204 0.81
SCHEMBL3258617 0.80 SLC6A4 (0.49) ROCK1
SCHEMBL4327140 0.74 UHRF1 (0.48) ROCK1ADRB2CIT
SCHEMBL20508491 0.74 UHRF1 (0.48) ROCK1ADRB2CIT
SCHEMBL4322612 0.74 NOS3 (0.50) ROCK1ADRB2CITCBLB
SCHEMBL25299834 0.72 ADRB2 (0.35) ROCK1ADRB2CIT
SCHEMBL20771993 0.72 LOXL2 (0.44) ROCK1ADRB2CIT
SCHEMBL4340117 0.72 LOXL2 (0.44) ROCK1ADRB2CIT
SCHEMBL20508509 0.72 LOXL2 (0.44) ROCK1ADRB2CIT

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
CN-117659022-A Ureido substituted pyridine compound, pharmaceutical composition containing ureido substituted pyridine compound and medical application of ureido substituted pyridine compound 苏州阿尔脉生物科技有限公司 2024-03-08 CN disclosed