SCHEMBL15221069

SCHEMBL15221069

C=CCCCn1c(Br)c(-c2cnc3ccccc3c2)c2c(N)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.47
MTOR P42345 6/20 0.45
HDAC1 Q13547 2/20 0.45
PIK3CD O00329 7/20 0.45
PIK3CA P42336 6/20 0.45
PIK3CB P42338 6/20 0.45
PIK3CG P48736 6/20 0.45
PRKDC P78527 6/20 0.45
SRC P12931 5/20 0.45
ABL1 P00519 4/20 0.45
HCK P08631 4/20 0.45
KDR P35968 4/20 0.45
EPHB4 P54760 4/20 0.45
FGFR2 P21802 5/20 0.42
TLR8 Q9NR97 1/20 0.41
ITK Q08881 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PIK3C2B O00750 1/20 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
SCHEMBL15220890 0.94 EGFR (0.46) EGFRMTORHDAC1PIK3CDPIK3CA
SCHEMBL15490995 0.84 EGFR (0.49) EGFRMTORHDAC1PIK3CDPIK3CA
SCHEMBL19562034 0.83 EGFR (0.47) EGFRMTORHDAC1PIK3CDPIK3CA
SCHEMBL16525928 0.81 EGFR (0.45) EGFRMTORHDAC1PIK3CDPIK3CA
SCHEMBL15490957 0.81 EGFR (0.43) EGFRMTORHDAC1PIK3CDPIK3CA
SCHEMBL15487195 0.80 EGFR (0.52) EGFRMTORHDAC1PIK3CDPIK3CA
SCHEMBL15490976 0.79 EGFR (0.42) EGFRMTORHDAC1PIK3CDPIK3CA
SCHEMBL19991475 0.79 EGFR (0.45) EGFRMTORHDAC1PIK3CDPIK3CA
SCHEMBL15220968 0.78 EGFR (0.43) EGFRMTORHDAC1PIK3CDPIK3CA
SCHEMBL15221103 0.78 EGFR (0.43) EGFRMTORHDAC1PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3037424-B1 NOVEL QUINOLINE-SUBSTITUTED COMPOUND TAIHO PHARMACEUTICAL CO LTD (JP) 2017-11-08 EP disclosed
EP-2722332-B1 QUINOLYLPYRROLOPYRIMIDYL FUSED-RING COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2016-04-20 EP disclosed
EP-2722332-A1 QUINOLYLPYRROLOPYRIMIDYL FUSED-RING COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2014-04-23 EP disclosed
WO-2013125709-A1 QUINOLYLPYRROLOPYRIMIDYL FUSED-RING COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2013-08-29 WO disclosed