SCHEMBL24921005

SCHEMBL24921005

CSc1ncc2c(n1)CN(C)CC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 6/20 0.38
CDK2 P24941 6/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
FGFR4 P22455 2/20 0.38
HTR6 P50406 2/20 0.36
KMT2A Q03164 1/20 0.35
PIM1 P11309 2/20 0.35
TTK P33981 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
CYP2C9 P11712 1/20 0.35
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
KDR P35968 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
SCHEMBL14496907 0.87 CYP2C9 (0.43) CCNA2CDK2MAOAMAOBFGFR4
SCHEMBL19505047 0.86 FGFR4 (0.41) CCNA2CDK2FGFR4KMT2APIM1
SCHEMBL12969033 0.78 MAOA (0.41) MAOAMAOBHTR6CYP2C9DRD2
SCHEMBL30675356 0.78 MAPK1 (0.41) CCNA2CDK2KMT2APIM1TTK
SCHEMBL26626951 0.77 CYP2C19 (0.47) MAOAMAOBKMT2ADRD2DRD3
SCHEMBL18818956 0.75 FGFR4 (0.37) CCNA2CDK2FGFR4KMT2APIM1
SCHEMBL19368148 0.74 MAOA (0.38) MAOAMAOBCYP2C9DRD2DRD1
SCHEMBL24922027 0.74 MAOA (0.38) MAOAMAOBDRD2DRD1DRD4
SCHEMBL17466615 0.74 CCNA2 (0.44) CCNA2CDK2MAOBKMT2A
SCHEMBL29493411 0.74 MEN1 (0.46) CCNA2CDK2KMT2ACYP2C9

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-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed