SCHEMBL7239590

SCHEMBL7239590

C#CC(=O)Nc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cn1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.56
ERBB2 P04626 6/20 0.56
ERBB4 Q15303 6/20 0.56
JAK3 P52333 2/20 0.54
KDR P35968 1/20 0.54
TEK Q02763 1/20 0.54
RIPK2 O43353 1/20 0.53
EPHB2 P29323 1/20 0.53
CSF1R P07333 1/20 0.49
TTBK1 Q5TCY1 1/20 0.46
TTBK2 Q6IQ55 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
SCHEMBL7234949 0.92 EGFR (0.67) EGFRERBB2ERBB4JAK3KDR
SCHEMBL7237854 0.89 EGFR (0.57) EGFRERBB2ERBB4TTBK1TTBK2
SCHEMBL7237773 0.87 KDR (0.60) EGFRERBB2ERBB4JAK3KDR
SCHEMBL7243671 0.85 EGFR (0.71) EGFRERBB2ERBB4JAK3KDR
SCHEMBL7238977 0.84 EGFR (0.73) EGFRERBB2ERBB4JAK3KDR
SCHEMBL7243805 0.81 EGFR (0.66) EGFRERBB2ERBB4JAK3KDR
SCHEMBL7241181 0.81 ERBB2 (0.63) EGFRERBB2ERBB4JAK3TTBK1
SCHEMBL7119446 0.77 EGFR (0.56) EGFRERBB2ERBB4KDR
SCHEMBL7124157 0.77 EGFR (0.53) EGFRERBB2ERBB4
SCHEMBL7241722 0.76 EGFR (0.76) EGFRERBB2ERBB4JAK3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562818-B1 For treating cancer, atherosclerosis, restenosis, endometriosis, and psoriasis WARNER-LAMBERT COMPANY 2003-05-13 US claimed
WO-1999006378-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO claimed
US-6562818-B1 For treating cancer, atherosclerosis, restenosis, endometriosis, and psoriasis WARNER-LAMBERT COMPANY 2003-05-13 US disclosed
US-6127374-A AN ENZYME INHIBITOR FOR TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS AND PSORIASIS WARNER-LAMBERT COMPANY (US) 2000-10-03 US disclosed
WO-1999006378-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO disclosed