SCHEMBL6545822

SCHEMBL6545822

NC(=O)C1(Cc2ccc3[nH]nc(-c4cccc(F)c4)c3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 4/20 0.44
NTRK1 P04629 5/20 0.43
TTK P33981 3/20 0.42
MAPK8 P45983 1/20 0.42
MAPK1 P28482 2/20 0.39
DYRK1A Q13627 2/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
ICMT O60725 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL2861096 0.78 MAP2K4 (0.51) MAP2K4NTRK1TTKMAPK1DYRK1A
SCHEMBL6759015 0.78 TAAR1 (0.54) MAP2K4NTRK1TTKDYRK1ACLK2
SCHEMBL6545524 0.77 NTRK1 (0.42) MAP2K4NTRK1TTKMAPK8MAPK1
SCHEMBL5801740 0.76 MAP2K4 (0.65) MAP2K4NTRK1TTKMAPK8MAPK1
SCHEMBL6545253 0.75 MAP2K4 (0.52) MAP2K4NTRK1TTKMAPK8
SCHEMBL2872497 0.74 DYRK1A (0.52) MAP2K4NTRK1TTKDYRK1ACLK2
SCHEMBL2871404 0.74 GSK3B (0.54) NTRK1TTKMAPK1DYRK1ACLK2
SCHEMBL27558704 0.73 TTK (0.56) MAP2K4NTRK1TTK
SCHEMBL2856182 0.72 NTRK1 (0.49) MAP2K4NTRK1MAPK1DYRK1ACLK2
SCHEMBL2858476 0.72 MAP2K4 (0.68) MAP2K4NTRK1TTKMAPK1

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-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed