SCHEMBL10123249

SCHEMBL10123249

Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3cccc(CC(=O)C4CC4)c3)n2)n[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.68
RET P07949 9/20 0.68
AURKB Q96GD4 6/20 0.68
SRC P12931 4/20 0.68
NTRK1 P04629 4/20 0.68
CSF1R P07333 4/20 0.68
FLT3 P36888 4/20 0.68
ABL1 P00519 4/20 0.68
PLK4 O00444 3/20 0.68
LCK P06239 3/20 0.68
KIT P10721 3/20 0.68
FGFR1 P11362 3/20 0.68
PDGFRA P16234 3/20 0.68
TYK2 P29597 3/20 0.68
KDR P35968 3/20 0.68
MAP4K5 Q9Y4K4 3/20 0.68
MAP4K4 O95819 3/20 0.68
FGFR3 P22607 3/20 0.68
PTK2 Q05397 2/20 0.68
CHEK1 O14757 2/20 0.68

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
SCHEMBL10122894 0.85 AURKA (0.69) AURKARETAURKBSRCNTRK1
SCHEMBL10122896 0.82 AURKA (0.69) AURKARETAURKBSRCNTRK1
Enmd-2076 SCHEMBL10122872 0.81 AURKA (1.00) AURKARETAURKBSRCNTRK1
Enmd-2076 SCHEMBL29355178 0.81 AURKA (1.00) AURKARETAURKBSRCNTRK1
Enmd-2076 SCHEMBL15668060 0.81 AURKA (1.00) AURKARETAURKBSRCNTRK1
Enmd-2076 SCHEMBL10122873 0.81 AURKA (1.00) AURKARETAURKBSRCNTRK1
Enmd-2076 SCHEMBL15239834 0.80 AURKA (1.00) AURKARETAURKBSRCNTRK1
Enmd-2076 SCHEMBL29379147 0.80 AURKA (1.00) AURKARETAURKBSRCNTRK1
Enmd-2076 SCHEMBL29381911 0.80 AURKA (1.00) AURKARETAURKBSRCNTRK1
Enmd-2076 SCHEMBL29389572 0.80 AURKA (1.00) AURKARETAURKBSRCNTRK1

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-8114870-B2 Method of treating disease states using substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. (US) 2012-02-14 US disclosed
US-8114870-B2 Method of treating disease states using substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. (US) 2012-02-14 US disclosed