SCHEMBL7128327

SCHEMBL7128327

COc1cc2c(Nc3cccc4c3OCO4)c(C#N)cnc2cc1OCCCN1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.58
KDR P35968 1/20 0.58
FYN P06241 3/20 0.57
ABL1 P00519 4/20 0.57
BCR P11274 4/20 0.57
MAP2K1 Q02750 4/20 0.56
WEE2 P0C1S8 2/20 0.56
WEE1 P30291 2/20 0.56
PKMYT1 Q99640 2/20 0.56
STK25 O00506 1/20 0.56
CIT O14578 1/20 0.56
RIOK3 O14730 1/20 0.56
MAP2K7 O14733 1/20 0.56
CHEK1 O14757 1/20 0.56
CASK O14936 1/20 0.56
GAK O14976 1/20 0.56
EPHB6 O15197 1/20 0.56
MAP3K13 O43283 1/20 0.56
MAP3K7 O43318 1/20 0.56
RIPK2 O43353 1/20 0.56

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
SCHEMBL5723587 0.89 SRC (0.68) SRCKDRFYNABL1BCR
SCHEMBL4500900 0.86 SRC (0.54) SRCKDRFYNABL1BCR
SCHEMBL4493118 0.85 SRC (0.59) SRCKDRFYNABL1BCR
SCHEMBL6596134 0.84 SRC (0.58) SRCKDRFYNABL1BCR
SCHEMBL4497195 0.84 EGFR (0.57) SRCKDRFYNABL1BCR
SCHEMBL5723525 0.84 SRC (0.62) SRCKDRABL1BCREGFR
SCHEMBL7130437 0.84 SRC (0.54) SRCKDRFYNABL1BCR
Hydrochloric Acid SCHEMBL4496561 0.83 SRC (0.57) SRCKDRFYNABL1BCR
SCHEMBL4489309 0.83 EGFR (0.58) SRCKDRABL1BCRMAP2K1
SCHEMBL4496616 0.82 SRC (0.73) SRCFYNABL1BCRMAP2K1

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
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed