SCHEMBL7136180

SCHEMBL7136180

CN1CCN(C2CCC(n3nc(-c4ccc(NC(=O)O)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 0.77
LCK P06239 14/20 0.77
TEK Q02763 14/20 0.77
KDR P35968 7/20 0.77
BTK Q06187 2/20 0.69
EGFR P00533 6/20 0.63
ERBB2 P04626 6/20 0.63
IGF1R P08069 6/20 0.63
ERBB4 Q15303 6/20 0.63
ERBB3 P21860 5/20 0.63
LIMK1 P53667 2/20 0.62
PLK4 O00444 1/20 0.62
AURKA O14965 1/20 0.62
MAPK13 O15264 1/20 0.62
ROCK2 O75116 1/20 0.62
RPS6KA5 O75582 1/20 0.62
PRKD3 O94806 1/20 0.62
MAP4K4 O95819 1/20 0.62
PAK4 O96013 1/20 0.62
CHEK2 O96017 1/20 0.62

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
SCHEMBL23847634 0.93 SRC (0.74) SRCLCKTEKKDRBTK
SCHEMBL23847493 0.93 SRC (0.74) SRCLCKTEKKDRBTK
SCHEMBL7142942 0.90 SRC (0.70) SRCLCKTEKKDRBTK
SCHEMBL6430812 0.89 SRC (0.80) SRCLCKTEKKDRBTK
SCHEMBL6430816 0.89 SRC (0.80) SRCLCKTEKKDRBTK
SCHEMBL6433761 0.88 SRC (0.73) SRCLCKTEKKDRBTK
SCHEMBL6431519 0.88 SRC (0.73) SRCLCKTEKKDRBTK
SCHEMBL6431518 0.88 SRC (0.73) SRCLCKTEKKDRBTK
SCHEMBL6433764 0.88 SRC (0.73) SRCLCKTEKKDRBTK
SCHEMBL6433865 0.88 SRC (0.68) SRCLCKTEKKDRBTK

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