SCHEMBL7984116

SCHEMBL7984116

COc1cc2c3c(Br)cc(OC)c(OC)c3n(Cc3ccc(C#N)cc3)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.55
PRKACA P17612 1/20 0.55
PRKACG P22612 1/20 0.55
PRKACB P22694 1/20 0.55
PIK3R1 P27986 3/20 0.43
PIK3CA P42336 3/20 0.43
CACNA1G O43497 1/20 0.39
CACNA1B Q00975 1/20 0.39
PGR P06401 1/20 0.36
CCR5 P51681 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
PRKDC P78527 4/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ALK Q9UM73 1/20 0.34
KIT P10721 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL9367998 0.83 SRC (0.53) SRCPRKACAPRKACGPRKACBPIK3R1
SCHEMBL7981528 0.82 SRC (0.52) SRCPRKACAPRKACGPRKACBPIK3R1
SCHEMBL7980285 0.71 SRC (0.49) SRCPIK3R1PIK3CA
SCHEMBL7980223 0.71 SRC (1.00) SRCPRKACAPRKACGPRKACBPIK3R1
SCHEMBL7984590 0.67 PRKDC (0.36) PRKDC
SCHEMBL7970968 0.66 TSHR (0.47) SRCEDNRBEDNRA
SCHEMBL23555529 0.66 PGR (0.44) PIK3R1PIK3CAPGRGRIN1GRIN2B
SCHEMBL23555543 0.65 MEN1 (0.46) PIK3R1PIK3CAPGRMAPK14
SCHEMBL23555525 0.65 RXFP1 (0.64)
SCHEMBL7980281 0.65 SRC (0.52) SRCPRKACAPRKACGPRKACBKIT

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
US-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed