SCHEMBL30639468

SCHEMBL30639468

Cc1ccccc1-c1cnc2nccn2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.55
GRM5 P41594 13/20 0.52
FLT1 P17948 1/20 0.41
CDK8 P49336 1/20 0.41
CDK9 P50750 1/20 0.41
LIMK1 P53667 1/20 0.41
ROCK1 Q13464 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TGFBR1 P36897 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
AXL P30530 1/20 0.38
FLT3 P36888 1/20 0.38
MERTK Q12866 1/20 0.38
GRIN2B Q13224 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL26175289 0.83 KIT (0.56) CDK8CDK9AXL
SCHEMBL360651 0.78 DYRK1A (0.74) DYRK1AGRM5CDK8ROCK1CLK4
SCHEMBL15640104 0.77 DYRK1A (0.54) DYRK1AGRM5TGFBR1KDM4EMEN1
SCHEMBL30639464 0.77 GRM5 (0.54) DYRK1AGRM5TGFBR1KDM4EALDH1A1
SCHEMBL18623821 0.76 ALDH1A1 (0.46) DYRK1AGRM5TGFBR1KDM4EALDH1A1
SCHEMBL17930295 0.76 TGFBR1 (0.64) DYRK1AFLT1CDK8CDK9LIMK1
SCHEMBL23587109 0.76 GRM5 (0.53) DYRK1AGRM5GRIN2B
SCHEMBL15639956 0.76 DYRK1A (0.43) DYRK1AGRM5TGFBR1GRIN2B
SCHEMBL15637963 0.76 TGFBR1 (0.46) DYRK1AGRM5TGFBR1KDM4EMEN1
SCHEMBL20190138 0.74 SCN5A (0.47) DYRK1AGRM5KDM4ENPC1ALDH1A1

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
EP-3842436-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZOPYRIMIDINE OR IMIDAZOTRIAZINE DERIVATIVES FOR USE IN THE TREATMENT OF SCHIZOPHRENIA SK BIOPHARMACEUTICALS CO LTD (KR) 2023-11-08 EP claimed