SCHEMBL2248691

SCHEMBL2248691

C=CC(=O)N1CCC[C@H]1C(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)c(C)c3)ncnc2cc1F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.56
ERBB2 P04626 10/20 0.55
KDR P35968 4/20 0.55
RAF1 P04049 2/20 0.55
FGFR2 P21802 2/20 0.55
FLT4 P35916 2/20 0.55
TEK Q02763 2/20 0.55
ABL1 P00519 1/20 0.55
LCK P06239 1/20 0.55
RET P07949 1/20 0.55
SRC P12931 1/20 0.55
FLT1 P17948 1/20 0.55
ERBB4 Q15303 5/20 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
SCHEMBL2251197 0.94 EGFR (0.63) EGFRERBB2KDRRAF1FGFR2
SCHEMBL2251124 0.92 EGFR (0.65) EGFRERBB2KDRRAF1FGFR2
SCHEMBL2247131 0.92 EGFR (0.57) EGFRERBB2KDRRAF1FGFR2
SCHEMBL15162745 0.90 EGFR (0.55) EGFRERBB2LCKERBB4
SCHEMBL2250896 0.88 EGFR (0.66) EGFRERBB2KDRRAF1FGFR2
SCHEMBL2250018 0.87 EGFR (0.68) EGFRERBB2KDRRAF1FGFR2
SCHEMBL2249394 0.86 EGFR (0.73) EGFRERBB2KDRRAF1FGFR2
SCHEMBL2252625 0.85 EGFR (0.67) EGFRERBB2KDRRAF1FGFR2
SCHEMBL2249379 0.85 EGFR (0.65) EGFRERBB2KDRRAF1FGFR2
SCHEMBL2248785 0.85 EGFR (0.72) EGFRERBB2KDRRAF1FGFR2

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