SCHEMBL11205992

SCHEMBL11205992

CCCc1cccc2[nH]nc(N)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.53
GAA P10253 2/20 0.53
MAP2K1 Q02750 2/20 0.49
KDR P35968 7/20 0.47
KIT P10721 4/20 0.47
FLT3 P36888 4/20 0.47
ROCK1 Q13464 4/20 0.47
CLK4 Q9HAZ1 4/20 0.47
CDK5 Q00535 3/20 0.47
CDK8 P49336 1/20 0.47
ABL1 P00519 6/20 0.45
PRKACA P17612 5/20 0.45
CDK2 P24941 4/20 0.45
GSK3B P49841 4/20 0.45
LCK P06239 3/20 0.45
CSF1R P07333 3/20 0.45
FGFR1 P11362 3/20 0.45
MAP4K4 O95819 3/20 0.45
PLK4 O00444 2/20 0.45
AURKA O14965 2/20 0.45

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
SCHEMBL13264637 0.86 GAA (0.56) PDPK1GAAMAP2K1KDRKIT
SCHEMBL11203656 0.81 GAA (0.44) PDPK1GAAMAP2K1KDRKIT
SCHEMBL16681490 0.75 MAP2K1 (0.59) PDPK1GAAMAP2K1KDRKIT
SCHEMBL5181390 0.75 PDPK1 (0.51) PDPK1GAAMAP2K1KDRKIT
SCHEMBL6854925 0.75 GAA (0.51) PDPK1GAAMAP2K1KDRKIT
SCHEMBL12322134 0.75 CSNK1A1 (0.36) KDRFLT3PDGFRBCSNK1A1KDM4E
SCHEMBL12281543 0.75 ELANE (0.39) CSNK1A1KDM4ECSNK1D
SCHEMBL11206157 0.75 HTR2A (0.49) PDPK1GAAMAP2K1KDRKIT
SCHEMBL5171279 0.73 PDPK1 (0.49) PDPK1GAAMAP2K1KDRKIT
SCHEMBL569660 0.73 GAA (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 EP disclosed
EP-0049779-A1 3-Aminoindazole derivatives and process for preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-04-21 EP disclosed