SCHEMBL29635160

SCHEMBL29635160

CN(C)c1cc(N)ncc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
EGFR P00533 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CD O00329 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL19866691 1.00 CSNK1A1 (0.38) CSNK1A1CLK4ROCK2ROCK1CDC42BPA
SCHEMBL16668748 0.76 CSNK1A1 (0.45) CSNK1A1CLK4NOS3NOS1NOS2
SCHEMBL22549256 0.75 LRRK2 (0.36) ROCK2ROCK1CDC42BPACDC42BPBALDH1A1
SCHEMBL2767503 0.75 NOS3 (0.56) CSNK1A1CLK4NOS3NOS1NOS2
SCHEMBL30971228 0.74 CSNK1A1 (0.44) CSNK1A1CLK4NOS3NOS1NOS2
SCHEMBL1457800 0.74 CSNK1A1 (0.44) CSNK1A1CLK4NOS3NOS1NOS2
SCHEMBL24048664 0.72 NOS3 (0.58) NOS3NOS1NOS2KDM4EGAA
SCHEMBL31420102 0.71 GAA (0.42) CLK4NOS3NOS1NOS2GAA
SCHEMBL21011621 0.71 CSNK1A1 (0.41) CSNK1A1CLK4NOS3NOS1NOS2
SCHEMBL31512102 0.71 CYP11B1 (0.44) CSNK1A1CLK4NPC1RAB9AADORA2A

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-109563091-B FGFR4 inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2022-04-29 CN disclosed