SCHEMBL7001945

SCHEMBL7001945

CN1CCN(C2CCC(n3nc(-c4ccc(C(NC(=O)O)c5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.73
LCK P06239 16/20 0.73
TEK Q02763 16/20 0.73
KDR P35968 7/20 0.70
BTK Q06187 3/20 0.68
LIMK1 P53667 2/20 0.58
LIMK2 P53671 1/20 0.58
EGFR P00533 3/20 0.58
ERBB2 P04626 3/20 0.58
IGF1R P08069 3/20 0.58
ERBB4 Q15303 3/20 0.58
ERBB3 P21860 2/20 0.58
NUDT14 O95848 1/20 0.57
NUDT5 Q9UKK9 1/20 0.57
FYN P06241 1/20 0.56
PLK4 O00444 1/20 0.54
AURKA O14965 1/20 0.54
MAPK13 O15264 1/20 0.54
ROCK2 O75116 1/20 0.54
RPS6KA5 O75582 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
SCHEMBL6431750 0.94 SRC (0.72) SRCLCKTEKKDRBTK
SCHEMBL6431748 0.94 SRC (0.72) SRCLCKTEKKDRBTK
SCHEMBL6431693 0.93 SRC (0.75) SRCLCKTEKKDRBTK
SCHEMBL6431699 0.93 SRC (0.75) SRCLCKTEKKDRBTK
SCHEMBL6433819 0.90 LCK (0.66) SRCLCKTEKKDRBTK
SCHEMBL6433820 0.90 LCK (0.66) SRCLCKTEKKDRBTK
SCHEMBL5801412 0.89 LCK (0.65) SRCLCKTEKKDRBTK
SCHEMBL6884880 0.89 LCK (0.65) SRCLCKTEKKDRBTK
SCHEMBL5801411 0.89 LCK (0.65) SRCLCKTEKKDRBTK
Acetic Acid SCHEMBL6430207 0.89 SRC (0.65) 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 2 patents. 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
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed