SCHEMBL8093519

SCHEMBL8093519

Nc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 1.00
FLT1 P17948 2/20 0.60
PIK3CA P42336 1/20 0.58
PIK3CG P48736 1/20 0.58
ERBB2 P04626 3/20 0.55

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
SCHEMBL8081980 0.90 EGFR (1.00) EGFRERBB2
SCHEMBL7978781 0.88 EGFR (0.78) EGFRFLT1PIK3CAPIK3CGERBB2
SCHEMBL7978783 0.88 EGFR (0.78) EGFRFLT1PIK3CAPIK3CGERBB2
SCHEMBL1733829 0.86 EGFR (0.76) EGFRFLT1PIK3CAPIK3CGERBB2
SCHEMBL8082013 0.85 EGFR (0.74) EGFRFLT1ERBB2
SCHEMBL3606262 0.85 EGFR (0.73) EGFRFLT1PIK3CAPIK3CGERBB2
Hydrochloric Acid SCHEMBL8593958 0.84 EGFR (0.72) EGFRFLT1
SCHEMBL8976304 0.83 EGFR (0.71) EGFRFLT1PIK3CAPIK3CGERBB2
SCHEMBL7021509 0.83 EGFR (0.70) EGFRFLT1
Hydrochloric Acid SCHEMBL8976476 0.82 EGFR (0.70) EGFRFLT1PIK3CAPIK3CGERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US claimed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO claimed
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US disclosed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO disclosed
US-5580870-A ANTICARCINOGENIC AGENTS ZENECA LIMITED (GB) 1996-12-03 US disclosed
EP-0602851-B1 Quinazoline derivatives ZENECA LTD (GB) 1996-10-09 EP disclosed
EP-0602851-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1994-06-22 EP disclosed