SCHEMBL6969995

SCHEMBL6969995

Cc1nn(-c2ccccc2)cc1NCc1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.45
VNN1 O95497 3/20 0.45
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
NTRK1 P04629 1/20 0.41
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41
PDE2A O00408 1/20 0.41
ADORA1 P30542 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CYP1A2 P05177 6/20 0.41
CYP2C19 P33261 6/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 4/20 0.41
CLK4 Q9HAZ1 4/20 0.41
MAPK1 P28482 3/20 0.41

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
SCHEMBL6960353 0.78 ALDH1A1 (0.41) ACP1VNN1PDE2ACYP1A2CYP2C19
SCHEMBL6959326 0.78 VNN1 (0.51) VNN1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6972135 0.78 MEN1 (0.47) ACP1VNN1GABRG2GABRB3GABRA5
SCHEMBL6959349 0.77 VNN1 (0.47) ACP1VNN1GABRG2GABRB3GABRA5
SCHEMBL24427767 0.74 SCN8A (0.53) ACP1VNN1GABRG2GABRB3GABRA5
SCHEMBL6959537 0.73 VNN1 (0.48) ACP1VNN1GABRG2GABRB3GABRA5
SCHEMBL6960930 0.72 VNN1 (0.47) ACP1VNN1GABRG2GABRB3GABRA5
SCHEMBL6971033 0.72 NR3C1 (0.42) DRD2DRD4DRD3ALDH1A1HSD17B10
SCHEMBL26847567 0.70 NOTUM (0.49) DRD2DRD3ALDH1A1TSHRKDM4E
SCHEMBL9051881 0.69 LMNA (0.46) DRD2DRD4DRD3CYP2C19ALDH1A1

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed