SCHEMBL2247127

SCHEMBL2247127

C=CC(=O)N1CCC1C(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2cc1OCC

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.69
ERBB2 P04626 10/20 0.62
LCK P06239 2/20 0.55
ERBB4 Q15303 2/20 0.55
ABL1 P00519 1/20 0.55
RAF1 P04049 1/20 0.55
RET P07949 1/20 0.55
SRC P12931 1/20 0.55
FGFR2 P21802 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55
TEK Q02763 1/20 0.55

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
SCHEMBL2252625 0.96 EGFR (0.67) EGFRERBB2LCKERBB4ABL1
SCHEMBL2249784 0.95 EGFR (0.75) EGFRERBB2LCKERBB4ABL1
SCHEMBL2249394 0.92 EGFR (0.73) EGFRERBB2LCKERBB4ABL1
SCHEMBL2248785 0.91 EGFR (0.72) EGFRERBB2LCKERBB4ABL1
SCHEMBL2250896 0.91 EGFR (0.66) EGFRERBB2LCKABL1RAF1
SCHEMBL15163359 0.90 EGFR (0.67) EGFRERBB2LCKERBB4
SCHEMBL2250018 0.90 EGFR (0.68) EGFRERBB2LCKABL1RAF1
SCHEMBL2250578 0.90 EGFR (0.70) EGFRERBB2LCKABL1RAF1
SCHEMBL2251706 0.89 EGFR (0.65) EGFRERBB2LCKABL1RAF1
SCHEMBL2247131 0.89 EGFR (0.57) EGFRERBB2LCKERBB4ABL1

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