SCHEMBL7980223

SCHEMBL7980223

N#Cc1ccc(Cn2c3cc(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 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 1.00
PRKACA P17612 6/20 1.00
PRKACG P22612 6/20 1.00
PRKACB P22694 6/20 1.00
PIK3R1 P27986 2/20 0.43
PIK3CA P42336 2/20 0.43
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL7980809 0.81 SRC (1.00) SRCPRKACAPRKACGPRKACB
SCHEMBL7984116 0.71 SRC (0.55) SRCPRKACAPRKACGPRKACBPIK3R1
SCHEMBL9367998 0.70 SRC (0.53) SRCPRKACAPRKACGPRKACBPIK3R1
SCHEMBL7981609 0.69 SRC (1.00) SRCPRKACAPRKACGPRKACB
SCHEMBL23555526 0.64 SRC (0.47) SRCPRKACAPRKACGPRKACBPIK3R1
SCHEMBL7981575 0.64 SRC (0.57) SRCPRKACAPRKACGPRKACB
SCHEMBL7980243 0.64 SRC (1.00) SRCPRKACAPRKACGPRKACB
SCHEMBL23555539 0.63 MEN1 (0.47) SRCPRKACAPRKACGPRKACBPIK3R1
SCHEMBL5795289 0.63 KCNJ1 (0.46) SRCPRKACAPRKACGPRKACBCYP19A1
SCHEMBL7981658 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