SCHEMBL2247131

SCHEMBL2247131

C=CC(=O)N1CCC[C@H]1C(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)c(C)c3)ncnc2cc1OCC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.57
ERBB2 P04626 13/20 0.57
ERBB4 Q15303 5/20 0.57
RAF1 P04049 2/20 0.56
FGFR2 P21802 2/20 0.56
FLT4 P35916 2/20 0.56
KDR P35968 2/20 0.56
TEK Q02763 2/20 0.56
ABL1 P00519 1/20 0.56
LCK P06239 1/20 0.56
RET P07949 1/20 0.56
SRC P12931 1/20 0.56
FLT1 P17948 1/20 0.54

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
SCHEMBL2251197 0.95 EGFR (0.63) EGFRERBB2ERBB4RAF1FGFR2
SCHEMBL2252625 0.93 EGFR (0.67) EGFRERBB2ERBB4RAF1FGFR2
SCHEMBL2248691 0.92 EGFR (0.56) EGFRERBB2ERBB4RAF1FGFR2
SCHEMBL15162727 0.90 EGFR (0.56) EGFRERBB2ERBB4
SCHEMBL2247127 0.89 EGFR (0.69) EGFRERBB2ERBB4RAF1FGFR2
SCHEMBL2249394 0.89 EGFR (0.73) EGFRERBB2ERBB4RAF1FGFR2
SCHEMBL2248785 0.87 EGFR (0.72) EGFRERBB2ERBB4RAF1FGFR2
SCHEMBL2250578 0.86 EGFR (0.70) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL2250018 0.86 EGFR (0.68) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL2251706 0.86 EGFR (0.65) EGFRERBB2RAF1FGFR2FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003658-B2 Quinazoline derivatives for inhibiting cancer cell growth and method for the preparation thereof HANMI HOLDINGS CO., LTD. (KR) 2011-08-23 US claimed
US-8003658-B2 Quinazoline derivatives for inhibiting cancer cell growth and method for the preparation thereof HANMI HOLDINGS CO., LTD. (KR) 2011-08-23 US disclosed