SCHEMBL4720051

SCHEMBL4720051

Fc1cccc(COc2ccc(Nc3ncnc4ccc(I)cc34)cc2F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.60
ERBB2 P04626 16/20 0.60
GAK O14976 1/20 0.59
ERBB4 Q15303 2/20 0.57
ERBB3 P21860 1/20 0.53
ABL1 P00519 5/20 0.53
INSR P06213 5/20 0.53
PDGFRB P09619 5/20 0.53
CDK2 P24941 5/20 0.53
PLK1 P53350 5/20 0.53
HDAC1 Q13547 4/20 0.53
HDAC8 Q9BY41 4/20 0.53
HDAC6 Q9UBN7 4/20 0.53
HDAC3 O15379 3/20 0.53
HDAC4 P56524 3/20 0.53
HDAC7 Q8WUI4 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC10 Q969S8 3/20 0.53
HDAC11 Q96DB2 3/20 0.53
HDAC9 Q9UKV0 3/20 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
SCHEMBL141514 0.90 EGFR (0.73) EGFRERBB2GAKERBB4ERBB3
SCHEMBL2699753 0.90 EGFR (0.58) EGFRERBB2GAKERBB4ERBB3
SCHEMBL9973594 0.90 EGFR (0.58) EGFRERBB2GAKERBB4ERBB3
SCHEMBL29693649 0.90 EGFR (0.73) EGFRERBB2GAKERBB4ERBB3
SCHEMBL6980024 0.90 EGFR (0.60) EGFRERBB2GAKERBB4ERBB3
Hydrochloric Acid SCHEMBL215037 0.89 EGFR (0.72) EGFRERBB2GAKERBB4ERBB3
SCHEMBL3320212 0.89 EGFR (0.69) EGFRERBB2GAKERBB4HDAC1
SCHEMBL3014295 0.88 EGFR (0.63) EGFRERBB2GAKERBB4
Hydrochloric Acid SCHEMBL3704389 0.87 EGFR (0.62) EGFRERBB2GAKERBB4
SCHEMBL4717905 0.84 EGFR (0.70) EGFRERBB2GAKERBB4ERBB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1454907-B1 Quninazoline and pyridopyrimidine derivatives GLAXO GROUP LTD (GB) 2008-12-17 EP claimed
EP-1454907-B1 Quninazoline and pyridopyrimidine derivatives GLAXO GROUP LTD (GB) 2008-12-17 EP disclosed