SCHEMBL7811124

SCHEMBL7811124

Cc1cccc(Nc2ncnc3cc(Cl)c([N+](=O)[O-])cc23)c1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.77
ERBB2 P04626 2/20 0.56
MAPK1 P28482 1/20 0.56
FBP1 P09467 1/20 0.56
HTT P42858 1/20 0.55
HIF1A Q16665 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.53

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
Hydrochloric Acid SCHEMBL7809280 0.99 EGFR (0.75) EGFRERBB2MAPK1FBP1HTT
SCHEMBL8871114 0.87 EGFR (0.59) EGFRERBB2MAPK1FBP1HTT
SCHEMBL2988532 0.87 EGFR (0.59) EGFRERBB2MAPK1FBP1HTT
SCHEMBL8315497 0.86 EGFR (0.79) EGFRERBB2MAPK1FBP1HTT
SCHEMBL8088219 0.85 EGFR (0.79) EGFRERBB2MAPK1FBP1HIF1A
SCHEMBL27369686 0.84 EGFR (0.72) EGFRERBB2FBP1ABCG2
SCHEMBL7802761 0.84 EGFR (0.72) EGFRERBB2FBP1ABCG2
Hydrochloric Acid SCHEMBL1507670 0.83 EGFR (0.71) EGFRERBB2FBP1ABCG2
SCHEMBL27923394 0.82 EGFR (0.70) EGFRMAPK1FBP1HTTABCG2
SCHEMBL2995375 0.82 EGFR (0.92) EGFRFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635498-B1 Quinazoline derivatives and their use as anti-cancer agents SYNGENTA LTD (GB) 2001-04-18 EP disclosed
EP-0823901-B1 QUINAZOLINE DERIVATIVE ZENECA LTD (GB) 2000-10-18 EP disclosed
EP-0635507-B1 Tricyclic derivatives and their use as anti-cancer agents ZENECA LTD (GB) 1999-09-15 EP disclosed
US-5952333-A INHIBITOR OF TYROSINE KINASE RECEPTOR FOR TREATING PROLIFERATIVE DISEASE SUCH AS CANCER ZENECA LIMITED (GB) 1999-09-14 US disclosed
EP-0823901-A1 QUINAZOLINE DERIVATIVE ZENECA LIMITED (GB) 1998-02-18 EP disclosed
US-5616582-A Use as anticancer agents; e.g. gefitinib ZENECA LIMITED (GB) 1997-04-01 US disclosed
WO-1996033981-A1 QUINAZOLINE DERIVATIVE ZENECA LIMITED (GB) 1996-10-31 WO disclosed
US-5569658-A Tricyclic derivatives ZENECA LIMITED (GB) 1996-10-29 US disclosed
US-5475001-A Quinazoline derivatives ZENECA LIMITED (GB) 1995-12-12 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
WO-1995003283-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS ZENECA LIMITED (GB) 1995-02-02 WO disclosed
EP-0635507-A1 Tricyclic derivatives and their use as anti-cancer agents ZENECA LIMITED (GB) 1995-01-25 EP disclosed
EP-0635498-A1 Quinazoline derivatives and their use as anti-cancer agents ZENECA LIMITED (GB) 1995-01-25 EP disclosed
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 EP disclosed