SCHEMBL5793326

SCHEMBL5793326

CS(=O)(=O)CCNCC1=CC(=O)C(c2ccc3ncnc(Nc4ccc(OCc5ccccc5)c(Br)c4)c3c2)O1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.66
▸ ERBB2 P04626 12/20 0.66
▸ MEN1 O00255 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PIK3C2B O00750 1/20 0.47
▸ MAP2K7 O14733 1/20 0.47
▸ RIPK2 O43353 1/20 0.47
▸ PIK3C2G O75747 1/20 0.47
▸ STK10 O94804 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ INSR P06213 1/20 0.47
▸ RET P07949 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ CYP3A5 P20815 1/20 0.47
▸ ERBB3 P21860 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47

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
SCHEMBL5795760 0.93 EGFR (0.57) EGFRERBB2MEN1CYP3A4KMT2A
SCHEMBL5795480 0.90 EGFR (0.61) EGFRERBB2MEN1CYP3A4KMT2A
SCHEMBL5793460 0.83 EGFR (0.54) EGFRERBB2MEN1CYP3A4KMT2A
SCHEMBL5796002 0.82 EGFR (0.54) EGFRERBB2MEN1CYP3A4KMT2A
SCHEMBL5792777 0.82 EGFR (0.61) EGFRERBB2MEN1CYP3A4KMT2A
SCHEMBL7099826 0.80 EGFR (0.66) EGFRERBB2
SCHEMBL2099119 0.80 EGFR (1.00) EGFRERBB2MEN1CYP3A4KMT2A
SCHEMBL7553977 0.78 EGFR (0.65) EGFRERBB2ERBB4AURKB
SCHEMBL2099999 0.77 EGFR (0.84) EGFRERBB2MEN1CYP3A4KMT2A
SCHEMBL5792052 0.76 EGFR (0.55) EGFRERBB2MEN1CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1460072-B1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 2006-04-05 — — EP claimed
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