SCHEMBL4028027

SCHEMBL4028027

CN1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5cccnc5)c(Cl)c4)c23)CC1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.80
ERBB2 P04626 11/20 0.79
KCNH2 Q12809 1/20 0.75
SRC P12931 2/20 0.57
FLT1 P17948 1/20 0.50
EPHA2 P29317 1/20 0.50
KDR P35968 1/20 0.50
EPHB4 P54760 1/20 0.50

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
SCHEMBL4036609 0.91 EGFR (0.80) EGFRERBB2KCNH2SRC
SCHEMBL4033693 0.90 EGFR (0.78) EGFRERBB2KCNH2SRCEPHA2
SCHEMBL4034741 0.90 EGFR (0.85) EGFRERBB2KCNH2SRC
SCHEMBL4036773 0.89 EGFR (1.00) EGFRERBB2KCNH2SRC
SCHEMBL4036486 0.89 EGFR (0.84) EGFRERBB2KCNH2SRC
SCHEMBL4030332 0.89 EGFR (0.85) EGFRERBB2KCNH2SRC
SCHEMBL4034373 0.88 EGFR (0.88) EGFRERBB2KCNH2SRC
Hydrochloric Acid SCHEMBL5475625 0.88 EGFR (0.83) EGFRERBB2KCNH2SRC
SCHEMBL4036349 0.88 EGFR (0.81) EGFRERBB2KCNH2SRC
Hydrochloric Acid SCHEMBL4033478 0.88 EGFR (0.73) EGFRERBB2KCNH2SRC

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-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed