SCHEMBL4753151

SCHEMBL4753151

Nc1nc(N)c2cc(-c3cc(C(F)(F)F)cc(C(=O)O)c3C(F)(F)F)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RXRG P48443 1/20 0.37
DHFR P00374 2/20 0.37
MAP4K4 O95819 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
SCHEMBL4753627 0.89 ALOX5AP (0.38) ALOX5APFEN1DHFRMAP4K4
SCHEMBL4756382 0.75 DHFR (0.52) DHFR
SCHEMBL4753227 0.71 RXRA (0.44) XDHSLC22A12RXRARXRBKDM4E
SCHEMBL9152449 0.70 RXRB (0.55) ALOX5APFEN1XDHSLC22A12RXRA
SCHEMBL4753839 0.69 DHFR (0.50) DHFR
SCHEMBL4753592 0.69 DHFR (0.47) DHFR
SCHEMBL4753607 0.69 DHFR (0.45) KDM4EDHFR
SCHEMBL4756475 0.69 DHFR (0.49) DHFR
SCHEMBL4755674 0.69 DHFR (0.45) KDM4EDHFR
SCHEMBL4755362 0.68 PRSS1 (0.40)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO claimed
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO disclosed