SCHEMBL7133149

SCHEMBL7133149

CN1CCN(C2CCC(n3nc(-c4ccc(NC(=O)O)c(Cl)c4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.68
SRC P12931 15/20 0.68
TEK Q02763 15/20 0.68
KDR P35968 5/20 0.68
EGFR P00533 5/20 0.65
ERBB2 P04626 5/20 0.65
IGF1R P08069 5/20 0.65
ERBB3 P21860 5/20 0.65
ERBB4 Q15303 5/20 0.65
LIMK1 P53667 1/20 0.64
LIMK2 P53671 1/20 0.64
FYN P06241 1/20 0.61
BTK Q06187 1/20 0.61

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
SCHEMBL4847861 0.89 LCK (0.84) LCKSRCTEKKDREGFR
SCHEMBL4819139 0.89 SRC (0.64) LCKSRCTEKKDREGFR
SCHEMBL4826702 0.87 LCK (0.69) LCKSRCTEKKDREGFR
SCHEMBL7136180 0.86 SRC (0.77) LCKSRCTEKKDREGFR
SCHEMBL4825115 0.85 SRC (0.67) LCKSRCTEKKDREGFR
SCHEMBL6435519 0.85 SRC (0.67) LCKSRCTEKKDREGFR
SCHEMBL7142942 0.85 SRC (0.70) LCKSRCTEKKDREGFR
Acetic Acid SCHEMBL4818446 0.85 LCK (0.61) LCKSRCTEKKDREGFR
SCHEMBL4828010 0.85 LCK (0.70) LCKSRCTEKKDREGFR
SCHEMBL5787000 0.85 LCK (0.77) LCKSRCTEKKDRLIMK1

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
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed