SCHEMBL7983591

SCHEMBL7983591

COc1cc2c3c(Br)cc(OC)c(OC)c3n(C(=O)c3ccc(S(C)(=O)=O)cc3)c2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.60
PRKACA P17612 5/20 0.60
PRKACG P22612 5/20 0.60
PRKACB P22694 5/20 0.60
MAOB P27338 1/20 0.38
PTGS2 P35354 4/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KRAS P01116 1/20 0.35

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
SCHEMBL7984223 0.84 SRC (0.59) SRCPRKACAPRKACGPRKACB
SCHEMBL7983592 0.84 SRC (0.59) SRCPRKACAPRKACGPRKACB
SCHEMBL7983594 0.82 EED (0.41) SRCPRKACAPRKACGPRKACBCA1
SCHEMBL7981701 0.75 SRC (1.00) SRCPRKACAPRKACGPRKACBPTGS2
SCHEMBL7984590 0.75 PRKDC (0.36) CA1CA2CA9
SCHEMBL7970110 0.74 SRC (0.38) SRCPRKACAPRKACGPRKACBMAOB
SCHEMBL7971057 0.73 SRC (0.52) SRCPRKACAPRKACGPRKACBPTGS2
SCHEMBL7981392 0.64 SRC (0.61) SRCPTGS2
SCHEMBL7983836 0.64 SRC (0.55) SRCPRKACAPRKACGPRKACB
SCHEMBL7970463 0.63 SRC (1.00) SRCPRKACAPRKACGPRKACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
EP-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed