SCHEMBL5723587

SCHEMBL5723587

COc1cc2c(Nc3cccc4c3OCO4)c(C#N)cnc2cc1OCCCN1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.68
KDR P35968 1/20 0.60
ABL1 P00519 4/20 0.59
BCR P11274 4/20 0.59
MAP2K1 Q02750 4/20 0.58
FYN P06241 3/20 0.58
STK25 O00506 1/20 0.57
CIT O14578 1/20 0.57
RIOK3 O14730 1/20 0.57
MAP2K7 O14733 1/20 0.57
CHEK1 O14757 1/20 0.57
CASK O14936 1/20 0.57
GAK O14976 1/20 0.57
EPHB6 O15197 1/20 0.57
MAP3K13 O43283 1/20 0.57
MAP3K7 O43318 1/20 0.57
RIPK2 O43353 1/20 0.57
NUAK1 O60285 1/20 0.57
JAK2 O60674 1/20 0.57
ROCK2 O75116 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
SCHEMBL7128327 0.89 SRC (0.58) SRCKDRABL1BCRMAP2K1
SCHEMBL4493118 0.87 SRC (0.59) SRCKDRABL1BCRFYN
SCHEMBL6596134 0.86 SRC (0.58) SRCKDRABL1BCRFYN
SCHEMBL4497195 0.86 EGFR (0.57) SRCKDRABL1BCRMAP2K1
SCHEMBL5723525 0.86 SRC (0.62) SRCKDRABL1BCREGFR
SCHEMBL7130437 0.86 SRC (0.54) SRCKDRABL1BCRMAP2K1
SCHEMBL4500900 0.86 SRC (0.54) SRCKDRABL1BCRMAP2K1
Hydrochloric Acid SCHEMBL4496561 0.86 SRC (0.57) SRCKDRABL1BCRFYN
SCHEMBL4489309 0.85 EGFR (0.58) SRCKDRABL1BCRMAP2K1
Hydrochloric Acid SCHEMBL5219117 0.83 SRC (0.82) SRCKDREGFRCSKEPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 EP disclosed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 WO disclosed