SCHEMBL6919919

SCHEMBL6919919

COc1ccc(Nc2nc(N)nc(-c3ccc(OC)c(F)c3)n2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 2/20 0.55
CHRNA7 P36544 1/20 0.53
PIK3CA P42336 1/20 0.52
ABCG2 Q9UNQ0 2/20 0.50
ABCB1 P08183 1/20 0.50
ABCC1 P33527 1/20 0.50
IMPDH2 P12268 1/20 0.49
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GALR2 O43603 4/20 0.46
GALR1 P47211 3/20 0.46
FLT3 P36888 1/20 0.45
MAPT P10636 2/20 0.44
GPR68 Q15743 2/20 0.44
TP53 P04637 1/20 0.44
RAD52 P43351 1/20 0.44

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
SCHEMBL5029097 0.88 AGPAT2 (0.53) AGPAT2PIK3CAABCG2ABCB1ABCC1
SCHEMBL5031343 0.84 RAB9A (0.57) PIK3CAALDH1A1MEN1NPC1RAB9A
SCHEMBL5029274 0.75 GALR1 (0.52) AGPAT2PIK3CAABCG2ABCB1ABCC1
SCHEMBL6231983 0.75 SMN1; SMN2 (0.58) MEN1RAB9AKMT2ASMN1; SMN2GALR2
SCHEMBL16748476 0.75 PIK3CA (0.51) AGPAT2CHRNA7PIK3CAABCG2ABCB1
SCHEMBL6610183 0.75 MEN1 (0.58) IMPDH2MEN1KMT2ASMN1; SMN2GALR2
SCHEMBL27609278 0.74 PIK3CA (0.43) AGPAT2PIK3CAALDH1A1NPC1RAB9A
SCHEMBL4836537 0.74 APP (0.63) ABCG2ABCB1ABCC1ALDH1A1MEN1
SCHEMBL4835357 0.74 APP (0.59) ABCG2ABCB1ABCC1ALDH1A1MEN1
SCHEMBL6207499 0.74 PIK3CA (0.46) AGPAT2PIK3CAGALR2GALR1FLT3

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
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO disclosed