SCHEMBL7128828

SCHEMBL7128828

COc1cc2c(Nc3cccc4ccoc34)c(C#N)cnc2cc1OCCCN1CC=CCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.56
KDR P35968 1/20 0.56
FYN P06241 3/20 0.55
MAP2K1 Q02750 5/20 0.55
ABL1 P00519 4/20 0.55
BCR P11274 4/20 0.55
STK25 O00506 1/20 0.54
CIT O14578 1/20 0.54
RIOK3 O14730 1/20 0.54
MAP2K7 O14733 1/20 0.54
CHEK1 O14757 1/20 0.54
CASK O14936 1/20 0.54
GAK O14976 1/20 0.54
EPHB6 O15197 1/20 0.54
MAP3K13 O43283 1/20 0.54
MAP3K7 O43318 1/20 0.54
RIPK2 O43353 1/20 0.54
NUAK1 O60285 1/20 0.54
JAK2 O60674 1/20 0.54
ROCK2 O75116 1/20 0.54

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
SCHEMBL7131283 0.90 SRC (0.68) SRCKDRFYNMAP2K1ABL1
Hydrochloric Acid SCHEMBL7125231 0.89 SRC (0.67) SRCKDRFYNMAP2K1ABL1
SCHEMBL7066587 0.89 SRC (0.71) SRCKDRFYNMAP2K1ABL1
SCHEMBL7134537 0.88 EGFR (0.49) SRCKDRFYNMAP2K1ABL1
SCHEMBL7133745 0.88 SRC (0.59) SRCKDRFYNMAP2K1ABL1
SCHEMBL7259167 0.88 SRC (0.65) SRCKDRFYNMAP2K1ABL1
SCHEMBL7131329 0.86 IGF1R (0.58) SRCKDRFYNMAP2K1ABL1
SCHEMBL7065351 0.85 SRC (0.60) SRCFYNMAP2K1ABL1BCR
Hydrochloric Acid SCHEMBL7065284 0.84 SRC (0.58) SRCFYNABL1BCREGFR
Hydrochloric Acid SCHEMBL7066639 0.83 SRC (0.66) SRCMAP2K1ABL1BCRGAK

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
WO-2003047583-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO claimed