SCHEMBL13810905

SCHEMBL13810905

Nc1n[nH]c2cccc(N3C=CCC=C3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ MAP2K1 Q02750 2/20 0.45
▸ KDR P35968 5/20 0.44
▸ KIT P10721 2/20 0.44
▸ FLT3 P36888 2/20 0.44
▸ ABL1 P00519 9/20 0.42
▸ ROCK1 Q13464 4/20 0.42
▸ LCK P06239 3/20 0.42
▸ CSF1R P07333 3/20 0.42
▸ FGFR1 P11362 3/20 0.42
▸ PRKACA P17612 3/20 0.42
▸ JAK2 O60674 3/20 0.42
▸ CDK5 Q00535 3/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ PLK4 O00444 2/20 0.42
▸ AURKA O14965 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ LYN P07948 2/20 0.42
▸ SRC P12931 2/20 0.42

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
SCHEMBL786493 0.74 GAA (0.54) PDPK1GAAMAP2K1KDRKIT
SCHEMBL16680746 0.73 PDPK1 (0.53) PDPK1GAAMAP2K1KDRKIT
SCHEMBL823576 0.72 FGFR1 (0.48) PDPK1GAAMAP2K1KDRKIT
SCHEMBL16681387 0.70 GAA (0.49) PDPK1GAAMAP2K1KDRKIT
SCHEMBL16681120 0.70 PDPK1 (0.49) PDPK1GAAMAP2K1KDRKIT
SCHEMBL185907 0.70 GAA (0.61) PDPK1GAAMAP2K1KDRKIT
SCHEMBL30248298 0.70 GAA (0.61) PDPK1GAAMAP2K1KDRKIT
SCHEMBL30065304 0.69 PDPK1 (0.66) PDPK1GAAMAP2K1KDRKIT
SCHEMBL628649 0.69 PDPK1 (0.66) PDPK1GAAMAP2K1KDRKIT
SCHEMBL16681145 0.69 GAA (0.47) PDPK1GAAMAP2K1KDRKIT

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
EP-1765788-B1 3-AMINOINDAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SGK-ASSOCIATED DISEASES MERCK PATENT GMBH (DE) 2009-06-03 — — EP disclosed
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