SCHEMBL9253314

SCHEMBL9253314

BrCc1ccc2ncncc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.55
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
AR P10275 1/20 0.45
FGFR4 P22455 1/20 0.40
NAMPT P43490 1/20 0.40
TDO2 P48775 1/20 0.39
MET P08581 1/20 0.39
ALOX5 P09917 1/20 0.39
BAZ1A Q9NRL2 1/20 0.33
BRAF P15056 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL27314267 0.86 EGFR (0.51) EGFRPIK3CDPIK3CAARFGFR4
SCHEMBL3971054 0.85 EGFR (0.55) EGFRPIK3CDPIK3CAARTDO2
SCHEMBL6998128 0.81 EGFR (0.55) EGFRPIK3CDPIK3CAARFGFR4
SCHEMBL9776814 0.81 EGFR (0.55) EGFRPIK3CDPIK3CAARFGFR4
SCHEMBL22315252 0.81 EGFR (0.55) EGFRPIK3CDPIK3CAARFGFR4
SCHEMBL2573576 0.81 EGFR (0.59) EGFRPIK3CDPIK3CAARFGFR4
SCHEMBL30918007 0.81 EGFR (0.55) EGFRPIK3CDPIK3CAARFGFR4
SCHEMBL3821058 0.81 EGFR (0.55) EGFRPIK3CDPIK3CAARFGFR4
SCHEMBL6650672 0.80 EGFR (0.38) EGFRPIK3CDPIK3CAARTDO2
SCHEMBL19338494 0.79 EGFR (0.51) EGFRPIK3CDPIK3CAARFGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024153595-A1 CHROMANE DERIVATIVES AS EGFR SELECTIVE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-07-25 WO disclosed
CN-102858754-A RAF inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC 2013-01-02 CN disclosed
US-5401751-A Enzyme inhibitors for 5-lipoxygenase ZENECA LIMITED (GB) 1995-03-28 US disclosed
US-5283245-A Antiinflammatory agent, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-01 US disclosed
US-5236919-A Inhibitorsof enzyme 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 US disclosed
US-5089495-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (FR) 1992-02-18 US disclosed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed
EP-0381375-A1 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-08 EP disclosed