SCHEMBL5593347

SCHEMBL5593347

COc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC(C)C(C)C)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
CRHR1 P34998 2/20 0.34
GRM8 O00222 1/20 0.33
GRM7 Q14831 1/20 0.33
GRM4 Q14833 1/20 0.33

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
SCHEMBL4818746 0.90 MBOAT4 (0.36) MBOAT4KMT2AMEN1NPC1CYP1A2
SCHEMBL5593342 0.89 CYP1A2 (0.39) MBOAT4KMT2AMEN1NPC1CYP1A2
SCHEMBL5593077 0.89 CYP1A2 (0.35) KMT2AMEN1NPC1CYP1A2ABL1
SCHEMBL5593464 0.88 CRHR1 (0.39) MBOAT4KMT2AMEN1NPC1CYP1A2
SCHEMBL5593059 0.85 EGLN2 (0.35) MBOAT4KMT2AMEN1CYP1A2ABL1
SCHEMBL5593497 0.85 MBOAT4 (0.36) MBOAT4KMT2AMEN1NPC1CYP1A2
SCHEMBL5593148 0.82 PDE2A (0.36) MBOAT4KMT2AMEN1NPC1CYP1A2
SCHEMBL25616298 0.82 HTT (0.38) KMT2AMEN1NPC1ALDH1A1HPGD
SCHEMBL5593329 0.81 MBOAT4 (0.40) MBOAT4KMT2AMEN1NPC1CYP1A2
SCHEMBL5593123 0.80 PDE2A (0.37) MBOAT4KMT2AMEN1NPC1CYP1A2

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-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 WO claimed
WO-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 WO disclosed