SCHEMBL7233111

SCHEMBL7233111

O=C(O)C=Cc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.60
KDR P35968 5/20 0.60
SRC P12931 4/20 0.60
AURKA O14965 4/20 0.60
AURKB Q96GD4 3/20 0.60
ROCK2 O75116 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LCK P06239 1/20 0.60
FYN P06241 1/20 0.60
RET P07949 1/20 0.60
MET P08581 1/20 0.60
MAPT P10636 1/20 0.60
PDGFRA P16234 1/20 0.60
LTK P29376 1/20 0.60
TTK P33981 1/20 0.60
MAP2K2 P36507 1/20 0.60
MAP2K1 Q02750 1/20 0.60
BTK Q06187 1/20 0.60
TYRO3 Q06418 1/20 0.60
TNK2 Q07912 1/20 0.60

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
SCHEMBL7235478 0.92 EGFR (0.61) EGFRKDRSRCAURKAAURKB
SCHEMBL7244628 0.91 EGFR (0.60) EGFRKDRSRCAURKAAURKB
SCHEMBL7233119 0.85 EGFR (0.62) EGFRKDRSRCAURKAAURKB
SCHEMBL7128163 0.84 EGFR (0.55) EGFRKDRSRCAURKAAURKB
SCHEMBL24751920 0.84 EGFR (0.65) EGFRKDRSRCAURKAAURKB
SCHEMBL7127833 0.84 EGFR (0.54) EGFRKDRSRCAURKAAURKB
SCHEMBL7236143 0.84 EGFR (0.75) EGFRKDRSRCAURKAAURKB
SCHEMBL7241812 0.82 MAP2K1 (0.56) EGFRKDRSRCAURKAAURKB
SCHEMBL8155329 0.82 EGFR (0.55) EGFRKDRAURKBHDAC1HDAC3
SCHEMBL5866417 0.81 EGFR (0.75) EGFRKDRSRCAURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127374-A AN ENZYME INHIBITOR FOR TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS AND PSORIASIS WARNER-LAMBERT COMPANY (US) 2000-10-03 US claimed
US-6562818-B1 For treating cancer, atherosclerosis, restenosis, endometriosis, and psoriasis WARNER-LAMBERT COMPANY 2003-05-13 US disclosed
US-6127374-A AN ENZYME INHIBITOR FOR TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS AND PSORIASIS WARNER-LAMBERT COMPANY (US) 2000-10-03 US disclosed