SCHEMBL6237576

SCHEMBL6237576

N#Cc1cccc(Nc2ncnc(Cl)c2N)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.59
EGFR P00533 7/20 0.56
MAPT P10636 1/20 0.54
TP53 P04637 1/20 0.52
F9 P00740 1/20 0.51
CDC7 O00311 1/20 0.48
SYK P43405 1/20 0.48
DYRK1A Q13627 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
GSK3B P49841 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ERBB2 P04626 2/20 0.43
ERBB3 P21860 1/20 0.43
ERBB4 Q15303 1/20 0.43

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
SCHEMBL6240062 0.86 EGFR (0.53) ABCG2EGFRMAPTSYKDYRK1A
SCHEMBL9726894 0.83 ABCG2 (0.54) ABCG2EGFRSYKDYRK1ADYRK1B
SCHEMBL3061494 0.81 EGFR (0.62) EGFRMAPTTP53ERBB2
SCHEMBL5973657 0.81 SYK (0.48) ABCG2EGFRMAPTCDC7SYK
SCHEMBL16179041 0.79 EGFR (0.48) ABCG2EGFRF9SYK
SCHEMBL6237775 0.79 EGFR (0.61) ABCG2EGFRERBB2
SCHEMBL1898192 0.78 EGFR (0.53) ABCG2EGFRMAPTDYRK1ADYRK1B
SCHEMBL4264905 0.76 EGFR (0.51) ABCG2EGFRMAPTTP53F9
SCHEMBL17802566 0.75 ROCK1 (0.51) EGFRMAPTERBB2
SCHEMBL27931003 0.75 TTBK1 (0.66) ABCG2EGFRTP53

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
WO-2005009384-A2 EGFR TYROSINE KINASE INHIBITORS IMCLONE SYSTEMS INCORPORATED (US) 2005-02-03 WO disclosed