SCHEMBL7238977

SCHEMBL7238977

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

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.73
ERBB2 P04626 9/20 0.73
JAK3 P52333 2/20 0.61
ERBB4 Q15303 2/20 0.61
FYN P06241 3/20 0.60
SRC P12931 3/20 0.60
VCP P55072 1/20 0.57
BTK Q06187 3/20 0.56
KCNH2 Q12809 1/20 0.55
KDR P35968 1/20 0.54
TEK Q02763 1/20 0.54
RIPK2 O43353 1/20 0.53
EPHB2 P29323 1/20 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
SCHEMBL7241722 0.92 EGFR (0.76) EGFRERBB2JAK3ERBB4FYN
SCHEMBL7237980 0.87 EGFR (0.84) EGFRERBB2FYNSRCVCP
SCHEMBL7239977 0.85 EGFR (1.00) EGFRERBB2JAK3ERBB4FYN
SCHEMBL7239590 0.84 EGFR (0.56) EGFRERBB2JAK3ERBB4KDR
SCHEMBL7239962 0.82 EGFR (0.68) EGFRERBB2JAK3ERBB4FYN
SCHEMBL7235040 0.82 EGFR (0.76) EGFRERBB2JAK3ERBB4KDR
SCHEMBL7238659 0.81 EGFR (0.76) EGFRERBB2JAK3ERBB4KDR
SCHEMBL7243201 0.81 EGFR (0.76) EGFRERBB2JAK3ERBB4KDR
SCHEMBL15391099 0.81 EGFR (0.75) EGFRERBB2JAK3ERBB4FYN
SCHEMBL7239082 0.81 ERBB2 (0.78) EGFRERBB2JAK3ERBB4FYN

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