SCHEMBL7243134

SCHEMBL7243134

O=C(C=CC(F)(F)CCCCN1CCOCC1)Oc1ccc2ncnc(Nc3ccc(C(=O)c4ccncc4)c(Cl)c3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.47
ERBB2 P04626 8/20 0.47
ERBB4 Q15303 6/20 0.47
KIT P10721 3/20 0.47
SRC P12931 3/20 0.47
ERBB3 P21860 3/20 0.47
KDR P35968 3/20 0.47
JAK3 P52333 2/20 0.47
CIT O14578 2/20 0.47
GAK O14976 2/20 0.47
EPHB6 O15197 2/20 0.47
RIPK2 O43353 2/20 0.47
STK17B O94768 2/20 0.47
STK10 O94804 2/20 0.47
ABL1 P00519 2/20 0.47
LCK P06239 2/20 0.47
LYN P07948 2/20 0.47
RET P07949 2/20 0.47
MET P08581 2/20 0.47
HCK P08631 2/20 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
SCHEMBL7244546 0.84 EGFR (0.45) EGFRERBB2ERBB4KITSRC
SCHEMBL7241984 0.83 AURKA (0.49) EGFRERBB2ERBB4SRCKDR
SCHEMBL7117656 0.81 EGFR (0.48) EGFRERBB2ERBB4KITSRC
SCHEMBL7127851 0.81 EGFR (0.47) EGFRERBB2ERBB4KITSRC
SCHEMBL7239476 0.81 EGFR (0.57) EGFRERBB2ERBB4SRCKDR
SCHEMBL4187414 0.77 EGFR (0.68) EGFRERBB2ERBB4KITSRC
SCHEMBL7240170 0.76 EGFR (0.60) EGFRERBB2ERBB4KITSRC
SCHEMBL4185100 0.75 EGFR (0.68) EGFRERBB2ERBB4KITSRC
SCHEMBL7242500 0.75 EGFR (0.51) EGFRERBB2ERBB4KITSRC
SCHEMBL7121714 0.75 AURKB (0.43) EGFRERBB2ERBB4KITSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127374-A AN ENZYME INHIBITOR FOR TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS AND PSORIASIS WARNER-LAMBERT COMPANY (US) 2000-10-03 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
WO-1999006378-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO disclosed