SCHEMBL4756656

SCHEMBL4756656

CNc1nc(C2CC3C(C2)C3(F)F)n(-c2ccc(Cl)cn2)c(=O)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.35
KMT2A Q03164 2/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
MAT2A P31153 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.30

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
SCHEMBL13985512 1.00 CRHR1 (0.35) CRHR1KMT2ACCNA2CDK2CDK5
SCHEMBL13985420 0.91 CCNA2 (0.35) CRHR1KMT2ACCNA2CDK2CDK5
SCHEMBL4756584 0.91 CCNA2 (0.35) CRHR1KMT2ACCNA2CDK2CDK5
SCHEMBL4755090 0.87 CRHR1 (0.37) CRHR1KMT2ACCNA2CDK2CDK5
SCHEMBL13985510 0.87 CRHR1 (0.37) CRHR1KMT2ACCNA2CDK2CDK5
SCHEMBL4753289 0.76 MAT2A (0.34) CRHR1MAT2A
SCHEMBL4753340 0.68 DRD1 (0.39) CRHR1KMT2AMAT2ASMN1; SMN2GAA
SCHEMBL13985230 0.68 DRD1 (0.39) CRHR1KMT2AMAT2ASMN1; SMN2GAA
SCHEMBL13985422 0.67 MAT2A (0.36) CRHR1MAT2ASMN1; SMN2KDM4EHTT
SCHEMBL4755608 0.67 MAT2A (0.36) CRHR1MAT2ASMN1; SMN2KDM4EHTT

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-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO disclosed