SCHEMBL4040837

SCHEMBL4040837

Fc1ccc(Nc2ncnc3cc(OCCN4CCCC4)cc(OC4CCOC4)c23)cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.75
SRC P12931 6/20 0.63
ERBB2 P04626 1/20 0.61
RET P07949 1/20 0.61
MST1R Q04912 1/20 0.61
ERBB4 Q15303 1/20 0.61
KDR P35968 4/20 0.60
LCK P06239 1/20 0.57
YES1 P07947 1/20 0.57
FGFR1 P11362 1/20 0.57
CSK P41240 1/20 0.57
AURKB Q96GD4 1/20 0.57

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
SCHEMBL4040632 0.99 EGFR (0.74) EGFRSRCERBB2RETMST1R
SCHEMBL4032525 0.99 EGFR (0.74) EGFRSRCERBB2RETMST1R
SCHEMBL4033940 0.96 EGFR (0.81) EGFRSRCERBB2RETMST1R
SCHEMBL4037402 0.96 EGFR (0.80) EGFRSRCERBB2RETMST1R
SCHEMBL4034224 0.96 EGFR (0.80) EGFRSRCERBB2RETMST1R
SCHEMBL4033595 0.95 EGFR (0.78) EGFRSRCERBB2RETKDR
SCHEMBL4034562 0.95 EGFR (0.81) EGFRSRCRETKDRLCK
SCHEMBL4036973 0.95 EGFR (0.81) EGFRSRCRETKDRLCK
SCHEMBL4042007 0.94 EGFR (0.85) EGFRSRCRETKDRLCK
SCHEMBL4035210 0.94 EGFR (0.77) EGFRSRCRETKDRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed