SCHEMBL8988007

SCHEMBL8988007

O=C(Cc1ccc(OCC(F)(F)F)cc1)Nc1ccnc(C2CCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 3/20 0.46
CACNA1G O43497 2/20 0.46
CACNA1H O95180 2/20 0.46
CDK5 Q00535 8/20 0.45
CDK2 P24941 6/20 0.45
CDK9 P50750 2/20 0.45
CCNA2 P20248 2/20 0.45
CCNA1 P78396 2/20 0.45
CDK5R1 Q15078 6/20 0.43
RIOK2 Q9BVS4 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPK10 P53779 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCNE1 P24864 3/20 0.40
CNR2 P34972 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAP4K1 Q92918 1/20 0.40
P2RX7 Q99572 2/20 0.39

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
SCHEMBL8987786 0.96 CACNA1I (0.50) CACNA1ICACNA1GCACNA1HCDK5CDK2
SCHEMBL8987780 0.88 RIOK2 (0.46) CDK5CDK2CDK9CCNA2CCNA1
SCHEMBL8987725 0.84 CDK5 (0.46) CACNA1HCDK5CDK2CDK9CCNA2
SCHEMBL8987987 0.83 RIOK2 (0.47) CDK5CDK2CCNA2CCNA1CDK5R1
SCHEMBL8988076 0.83 RIOK2 (0.48) CDK5CDK2CDK9CCNA2CCNA1
SCHEMBL8987716 0.81 MAPK10 (0.50) CACNA1ICACNA1GCACNA1HRIOK2ALDH1A1
SCHEMBL8987803 0.80 CDK2 (0.44) CDK5CDK2CDK9CCNA2CCNA1
SCHEMBL8987643 0.80 MAPK10 (0.46) CACNA1ICACNA1GCACNA1HRIOK2ALDH1A1
SCHEMBL8988094 0.80 MAPK10 (0.46) CACNA1ICACNA1GCACNA1HRIOK2ALDH1A1
SCHEMBL8987778 0.79 CACNA1H (0.51) CACNA1ICACNA1GCACNA1HCDK5CDK5R1

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
US-5556859-A N-(4-pyrimidinyl)amide pesticides DOWELANCO (US) 1996-09-17 US disclosed