SCHEMBL13635746

SCHEMBL13635746

Nc1cccc(C(=O)NCc2cc3c(-c4cccc(F)c4)n[nH]c3cc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.49
TTK P33981 5/20 0.47
MAP2K4 P45985 1/20 0.46
MAPK1 P28482 8/20 0.45
MAPK3 P27361 4/20 0.44
ULK1 O75385 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
CHRM3 P20309 1/20 0.41
NTRK1 P04629 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL2863237 0.93 CSNK1D (0.52) CSNK1DTTKMAP2K4MAPK1MAPK3
SCHEMBL2867437 0.86 CSNK1D (0.47) CSNK1DMAP2K4MAPK1MAPK3DGAT2
SCHEMBL2870355 0.86 MAPK1 (0.50) CSNK1DTTKMAP2K4MAPK1MAPK3
SCHEMBL2862635 0.86 DGAT2 (0.56) CSNK1DTTKDGAT2NTRK1ROCK2
SCHEMBL2863001 0.81 NTRK1 (0.56) CSNK1DTTKMAP2K4MAPK1MAPK3
SCHEMBL13198273 0.80 DGAT2 (0.50) CSNK1DTTKMAPK1DGAT2NTRK1
SCHEMBL2872610 0.78 DGAT2 (0.56) CSNK1DTTKMAPK1DGAT2NTRK1
SCHEMBL2866831 0.75 CSNK1D (0.51) CSNK1DDGAT2ROCK2
SCHEMBL2870798 0.75 NTRK1 (0.52) CSNK1DMAPK1DGAT2NTRK1ROCK2
SCHEMBL2857593 0.75 MAP2K4 (0.48) MAP2K4MAPK1NTRK1

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-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed