SCHEMBL28743576

SCHEMBL28743576

[CH2]Cc1nc(C)cn1-c1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.47
NOTUM Q6P988 2/20 0.41
DRD2 P14416 3/20 0.39
DRD3 P35462 2/20 0.38
NSD2 O96028 1/20 0.37
PHGDH O43175 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
SCHEMBL3833545 0.73 GRM5 (0.53) GRM5NOTUM
SCHEMBL25581837 0.67 GRM5 (0.62) GRM5NOTUMDRD2DRD3
SCHEMBL8697197 0.67 ICMT (0.60) GRM5
SCHEMBL18622981 0.65 KDM4E (0.53) GRM5NOTUMDRD2DRD3NSD2
SCHEMBL7237232 0.65 GRM5 (0.58) GRM5NOTUMDRD2DRD3NSD2
SCHEMBL4629672 0.64 GRM5 (1.00) GRM5
SCHEMBL26847567 0.64 NOTUM (0.49) GRM5NOTUMDRD2DRD3NSD2
SCHEMBL30771644 0.64 F11 (0.49) GRM5
SCHEMBL7214056 0.64 KDM4E (0.43) GRM5NOTUMDRD2DRD3NSD2
SCHEMBL22515998 0.64 ENPP3 (0.41) GRM5NOTUMDRD2DRD3NSD2

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-1246847-A Nitrogen containing heteroaromatics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-03-08 CN disclosed