SCHEMBL8427296

SCHEMBL8427296

Cc1cccc(Nc2ncnc3ccc(F)cc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.74
ERBB2 P04626 3/20 0.74
MAPK1 P28482 2/20 0.74
HTT P42858 2/20 0.69
HIF1A Q16665 1/20 0.69
KDM4E B2RXH2 1/20 0.64
ABCG2 Q9UNQ0 1/20 0.63
CD38 P28907 1/20 0.61

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 SCHEMBL8427224 0.99 EGFR (0.72) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL13620922 0.90 EGFR (0.67) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL5565226 0.89 HTT (0.72) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL8871863 0.89 EGFR (0.82) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL159209 0.85 EGFR (1.00) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL29350058 0.85 EGFR (1.00) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL4349199 0.85 MAPK1 (1.00) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL9017048 0.84 EGFR (0.70) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL8872089 0.84 EGFR (1.00) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL9215676 0.84 EGFR (0.74) EGFRERBB2MAPK1HTTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955464-A USE OF THE RECEPTOR TYROSINE KINASE INHIBITORY PROPERTIES OF THE COMPOUNDS IN THE TREATMENT OF PROLIFERATIVE DISEASE SUCH AS CANCER ZENECA LIMITED (GB) 1999-09-21 US disclosed
EP-0794953-B1 QUINAZOLINE DERIVATIVES ZENECA LTD (GB) 1999-05-06 EP disclosed
EP-0794953-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-09-17 EP disclosed
WO-1996016960-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-06-06 WO disclosed