SCHEMBL7797381

SCHEMBL7797381

COc1cc2cnc(Nc3ccc(C)c(Br)c3Br)nc2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAD52 P43351 2/20 0.39
MITF O75030 1/20 0.39
BLM P54132 1/20 0.39
FGFR1 P11362 1/20 0.38
LRRK2 Q5S007 2/20 0.38
ULK1 O75385 1/20 0.38
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
KDR P35968 4/20 0.37
RET P07949 3/20 0.37
KIF5B P33176 3/20 0.37
EGFR P00533 2/20 0.36

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
SCHEMBL7766729 0.82 MEN1 (0.46) KDM4EALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL7799373 0.82 EGFR (0.44) KDM4EALDH1A1SMN1; SMN2FGFR1LRRK2
SCHEMBL7799232 0.81 CSF1R (0.49) KDM4EALDH1A1SMN1; SMN2FGFR1LRRK2
SCHEMBL7754110 0.80 EGFR (0.54) KDM4EALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL7790969 0.80 EGFR (0.55) KDM4EALDH1A1SMN1; SMN2MAPTFGFR1
SCHEMBL7797258 0.79 KDR (0.59) KDM4EALDH1A1SMN1; SMN2FGFR1LRRK2
SCHEMBL7595199 0.79 PDGFRB (0.43) KDM4EALDH1A1SMN1; SMN2FGFR1LRRK2
SCHEMBL7791030 0.74 FLT1 (0.55) KDM4EALDH1A1SMN1; SMN2FGFR1LRRK2
SCHEMBL7800417 0.74 LRRK2 (0.53) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL1539121 0.74 RET (0.55) KDM4EALDH1A1SMN1; SMN2MAPTMEN1

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-1162974-A1 QUINAZOLINE FORMULATIONS AND THERAPEUTIC USE THEREOF Parker Hughes Institute (US) 2001-12-19 EP disclosed
WO-2000056338-A1 QUINAZOLINE FORMULATIONS AND THERAPEUTIC USE THEREOF PARKER HUGHES INSTITUTE (US) 2000-09-28 WO disclosed