SCHEMBL7766729

SCHEMBL7766729

COc1cc2cnc(Nc3ccc(C)cc3Br)nc2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
POLB P06746 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
MITF O75030 1/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
IGF1R P08069 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
KDR P35968 1/20 0.42
SRC P12931 1/20 0.40
SLC2A1 P11166 1/20 0.40
EGFR P00533 2/20 0.39
LRRK2 Q5S007 2/20 0.38
LCK P06239 1/20 0.38
ERBB2 P04626 1/20 0.38

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
SCHEMBL7595199 0.86 PDGFRB (0.43) SMN1; SMN2KDM4EALDH1A1PDGFRBPDGFRA
SCHEMBL7790969 0.85 EGFR (0.55) MAPTSMN1; SMN2KDM4EALDH1A1IGF1R
SCHEMBL7797381 0.82 KDM4E (0.43) MEN1POLBKMT2AMAPTTP53
SCHEMBL7799373 0.80 EGFR (0.44) SMN1; SMN2KDM4EALDH1A1IGF1RKDR
SCHEMBL7797258 0.79 KDR (0.59) SMN1; SMN2KDM4EALDH1A1PDGFRBPDGFRA
SCHEMBL7799232 0.78 CSF1R (0.49) SMN1; SMN2KDM4EALDH1A1SLC2A1EGFR
SCHEMBL7754110 0.78 EGFR (0.54) MEN1POLBKMT2AMAPTTP53
SCHEMBL5446668 0.76 RAF1 (0.50) MEN1POLBKMT2AMAPTTP53
SCHEMBL7791030 0.74 FLT1 (0.55) SMN1; SMN2KDM4EALDH1A1KDREGFR
SCHEMBL7791014 0.74 C1R (0.51) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1

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
EP-1100787-A1 LIPID-LOWERING QUINAZOLINE DERIVATIVE Parker Hughes Institute (US) 2001-05-23 EP disclosed
WO-2000006554-A1 LIPID-LOWERING QUINAZOLINE DERIVATIVE PARKER HUGHES INSTITUTE (US) 2000-02-10 WO disclosed