SCHEMBL8315324

SCHEMBL8315324

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

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.61
▸ FBP1 P09467 1/20 0.49
▸ ERBB2 P04626 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8310883 0.84 EGFR (0.66) EGFRERBB2MAPK1
SCHEMBL8315497 0.83 EGFR (0.79) EGFRFBP1ERBB2MAPK1
SCHEMBL8825719 0.80 SMN1; SMN2 (0.47) EGFRFBP1SMN1; SMN2
SCHEMBL7811124 0.78 EGFR (0.77) EGFRFBP1ERBB2MAPK1
SCHEMBL2988532 0.78 EGFR (0.59) EGFRFBP1ERBB2MAPK1
Hydrochloric Acid SCHEMBL7809280 0.77 EGFR (0.75) EGFRFBP1ERBB2MAPK1
SCHEMBL8088219 0.76 EGFR (0.79) EGFRFBP1ERBB2MAPK1SMN1; SMN2
SCHEMBL8871114 0.76 EGFR (0.59) EGFRFBP1ERBB2MAPK1
SCHEMBL8825893 0.76 EGFR (0.61) EGFRFBP1MAPK1
SCHEMBL8825716 0.73 CCNC (0.51) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635507-B1 Tricyclic derivatives and their use as anti-cancer agents ZENECA LTD (GB) 1999-09-15 — — EP disclosed
US-5616582-A Use as anticancer agents; e.g. gefitinib ZENECA LIMITED (GB) 1997-04-01 — — US disclosed
US-5569658-A Tricyclic derivatives ZENECA LIMITED (GB) 1996-10-29 — — 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-0635507-A1 Tricyclic 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
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