SCHEMBL8871968

SCHEMBL8871968

COc1cc2cncnc2c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.50
MAOA P21397 2/20 0.47
PDE1B Q01064 2/20 0.42
FGFR4 P22455 1/20 0.42
EGFR P00533 2/20 0.41
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL10957530 0.79 EGFR (0.45) PDE1BFGFR4EGFRALDH1A1
SCHEMBL10439246 0.75 ALDH1A1 (0.59) PDE5AMAOAPDE1BALDH1A1
SCHEMBL14595283 0.75 EGFR (0.41) FGFR4EGFRALDH1A1
SCHEMBL2722438 0.74 PDGFRB (0.46) PDE5AFGFR4ALDH1A1
SCHEMBL19878479 0.74 NQO2 (0.45) PDE5AFGFR4EGFRALDH1A1
SCHEMBL27528440 0.74 PDE5A (0.53) PDE5AALDH1A1
Hydrochloric Acid SCHEMBL27378663 0.72 PDE5A (0.51) PDE5AMAOAALDH1A1
SCHEMBL5368533 0.72 CYP3A4 (0.39) PDE5AFGFR4EGFRALDH1A1
SCHEMBL241727 0.72 EGFR (0.58) FGFR4EGFRALDH1A1
SCHEMBL3896815 0.71 EGFR (0.53) FGFR4EGFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616582-A Use as anticancer agents; e.g. gefitinib ZENECA LIMITED (GB) 1997-04-01 US disclosed
EP-0566226-B1 Quinazoline derivatives ZENECA LTD (GB) 1995-11-08 EP disclosed
US-5457105-A anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) ZENECA LIMITED (GB) 1995-10-10 US disclosed
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 EP disclosed
EP-0028473-B1 CHLORO- AND ALKOXY-SUBSTITUTED-2,4-DIAMINOQUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1985-01-09 EP disclosed
US-4483859-A 4-Amino-6, 7-dimethoxy-2-(4-heteroaryl-piperazino) quinazoline _antihypertensives PFIZER INC. (US) 1984-11-20 US disclosed
US-4483857-A 4-Amino-6,7-dimethoxy-2-(4-heteroaryl-piperazino)quinazoline antihypertensives PFIZER INC. (US) 1984-11-20 US disclosed
US-4435401-A 4-Amino-6,7-dimethoxy-2-(4-heteroaryl-piperazino)quinazoline antihypertensives PFIZER INC. (US) 1984-03-06 US disclosed
US-4377581-A ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1983-03-22 US disclosed
US-4351940-A Chloro- and alkoxy-substituted-2-chloro-4-aminodquinazolines PFIZER INC. (US) 1982-09-28 US disclosed
US-4287341-A USEFUL AS ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1981-09-01 US disclosed
EP-0028473-A1 Chloro- and alkoxy-substituted-2,4-diaminoquinazolines and pharmaceutical compositions containing them PFIZER INC. (US) 1981-05-13 EP disclosed
US-4062844-A Process for preparing hypotensive 2-(4-aroylpiperazin-1-yl)-amino-6,7-dimethoxyquinazolines PFIZER INC. (US) 1977-12-13 US disclosed