SCHEMBL3119347

SCHEMBL3119347

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3ccc(CC=O)n23)n[nH]1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.38
NTRK1 P04629 7/20 0.36
PLK4 O00444 2/20 0.36
PAK4 O96013 1/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
AURKA O14965 6/20 0.35
AURKB Q96GD4 4/20 0.35
SYK P43405 4/20 0.35
RET P07949 1/20 0.34

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
SCHEMBL1298579 0.88 DHODH (0.40) DHODHNTRK1PLK4PAK4NTRK3
SCHEMBL1298510 0.88 DHODH (0.40) DHODHNTRK1PLK4PAK4NTRK3
SCHEMBL1299082 0.88 DHODH (0.40) DHODHNTRK1PLK4PAK4NTRK3
SCHEMBL1299104 0.88 DHODH (0.38) DHODHNTRK1PLK4PAK4NTRK3
SCHEMBL1299555 0.86 DHODH (0.40) DHODHNTRK1PLK4PAK4NTRK3
SCHEMBL1298720 0.86 DHODH (0.38) DHODHNTRK1PLK4PAK4NTRK3
SCHEMBL1299140 0.85 RET (0.40) DHODHNTRK1PLK4PAK4NTRK3
SCHEMBL1298754 0.85 DHODH (0.44) DHODHNTRK1PLK4PAK4NTRK3
SCHEMBL1298991 0.84 DHODH (0.37) DHODHNTRK1PLK4PAK4NTRK3
SCHEMBL1298034 0.83 NTRK1 (0.37) DHODHNTRK1PLK4PAK4NTRK3

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
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO disclosed