SCHEMBL8987987

SCHEMBL8987987

O=C(Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)Nc1ccnc(C2CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 1/20 0.47
P2RX7 Q99572 4/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
EPHX2 P34913 2/20 0.47
LTA4H P09960 1/20 0.47
ROCK2 O75116 1/20 0.41
CSNK1D P48730 1/20 0.41
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
GSK3B P49841 1/20 0.41
MAPK14 Q16539 1/20 0.41
RORC P51449 1/20 0.41
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40
NLRP3 Q96P20 1/20 0.40
CDK5 Q00535 1/20 0.40

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
SCHEMBL8987780 0.96 RIOK2 (0.46) RIOK2P2RX7CCNA2CDK2CCNA1
SCHEMBL8987803 0.88 CDK2 (0.44) P2RX7CCNA2CDK2CCNA1EPHX2
SCHEMBL8987786 0.87 CACNA1I (0.50) RIOK2P2RX7CCNA2CDK2CCNA1
SCHEMBL8988076 0.87 RIOK2 (0.48) RIOK2P2RX7CCNA2CDK2CCNA1
SCHEMBL8987824 0.86 KMT2A (0.50) RIOK2P2RX7CCNA2CDK2CCNA1
SCHEMBL8987725 0.84 CDK5 (0.46) P2RX7CCNA2CDK2CCNA1EPHX2
SCHEMBL8987787 0.84 RIOK2 (0.50) RIOK2EPHX2LTA4HROCK2CSNK1D
SCHEMBL8988007 0.83 CACNA1I (0.46) RIOK2P2RX7CCNA2CDK2CCNA1
SCHEMBL8987854 0.82 RIOK2 (0.48) RIOK2EPHX2LTA4HCSNK1DALDH1A1
SCHEMBL8987654 0.82 RIOK2 (0.51) RIOK2EPHX2LTA4HCSNK1DALDH1A1

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