SCHEMBL7981701

SCHEMBL7981701

CS(=O)(=O)c1ccc(C(=O)n2c3cc(O)c(O)cc3c3c(Br)cc(O)c(O)c32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 1.00
PRKACA P17612 11/20 1.00
PRKACG P22612 11/20 1.00
PRKACB P22694 11/20 1.00
PTGS2 P35354 4/20 0.37
PTGS1 P23219 1/20 0.37
BCL2 P10415 1/20 0.36
MDM2 Q00987 1/20 0.36
MCL1 Q07820 1/20 0.36
AKR1C3 P42330 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
SCHEMBL7984055 0.84 SRC (1.00) SRCPRKACAPRKACGPRKACBBCL2
SCHEMBL7980197 0.83 SRC (1.00) SRCPRKACAPRKACGPRKACBBCL2
SCHEMBL7970463 0.81 SRC (1.00) SRCPRKACAPRKACGPRKACBBCL2
SCHEMBL7981703 0.80 SRC (0.67) SRCPRKACAPRKACGPRKACB
SCHEMBL7983591 0.75 SRC (0.60) SRCPRKACAPRKACGPRKACBPTGS2
SCHEMBL7981575 0.73 SRC (0.57) SRCPRKACAPRKACGPRKACB
SCHEMBL7980199 0.71 SRC (0.68) SRCPRKACAPRKACGPRKACB
SCHEMBL7987590 0.69 SRC (1.00) SRCPRKACAPRKACGPRKACBBCL2
SCHEMBL7984287 0.65 SRC (1.00) SRCPRKACAPRKACGPRKACBBCL2
SCHEMBL7980278 0.64 SRC (1.00) SRCPRKACAPRKACGPRKACBBCL2

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