SCHEMBL7278328

SCHEMBL7278328

NC(=O)c1n[nH]c2cccc(-c3ncc[nH]3)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1A1 P48729 2/20 0.55
▸ TYRO3 Q06418 2/20 0.55
▸ DYRK1B Q9Y463 1/20 0.55
▸ PARP1 P09874 2/20 0.44
▸ MAP2K4 P45985 3/20 0.38
▸ TTK P33981 2/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TYK2 P29597 3/20 0.35
▸ JAK3 P52333 3/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ KIT P10721 6/20 0.35
▸ FLT3 P36888 6/20 0.35
▸ KDR P35968 5/20 0.35
▸ PLK4 O00444 2/20 0.35
▸ AURKA O14965 2/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ CHEK2 O96017 2/20 0.35

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
SCHEMBL2021782 0.76 KDR (0.52) CSNK1A1TYRO3DYRK1BMAP2K4TTK
SCHEMBL8877409 0.72 MAP2K4 (0.44) CSNK1A1TYRO3PARP1MAP2K4TTK
SCHEMBL1648452 0.72 MAP2K4 (0.44) MAP2K4TTKKDM4EJAK2KIT
SCHEMBL6825869 0.71 CSNK1A1 (1.00) CSNK1A1TYRO3DYRK1BPARP1IDO1
SCHEMBL2723270 0.71 MAP2K4 (0.49) PARP1MAP2K4TTKKDM4EKIT
SCHEMBL16252836 0.71 MAP2K4 (0.43) CSNK1A1TYRO3DYRK1BPARP1MAP2K4
SCHEMBL4244229 0.71 PARP1 (0.56) CSNK1A1TYRO3DYRK1BPARP1IDO1
SCHEMBL31169514 0.70 TGFBR1 (0.38) PARP1MAP2K4TTKDYRK1APIM1
Water SCHEMBL30473073 0.70 CSNK1A1 (0.97) CSNK1A1TYRO3DYRK1BPARP1IDO1
SCHEMBL4564865 0.70 CSNK1A1 (0.73) CSNK1A1TYRO3DYRK1BPARP1KDM4E

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-0429984-B1 Indole derivatives NISSHIN FLOUR MILLING CO (JP) 1997-07-23 — — EP disclosed
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