SCHEMBL17178378

SCHEMBL17178378

NCCC(=O)Nc1c(-c2ccc3n[nH]cc3c2)nc2ncccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NTRK1 P04629 1/20 0.44
EPHB2 P29323 1/20 0.43
ROCK2 O75116 4/20 0.41
GSK3B P49841 4/20 0.41
CDC7 O00311 3/20 0.41
PIM1 P11309 3/20 0.41
PRKACA P17612 3/20 0.41
CDK2 P24941 3/20 0.41
HIPK2 Q9H2X6 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
AURKB Q96GD4 3/20 0.41
MAP4K4 O95819 2/20 0.41
DAPK3 O43293 2/20 0.41
DYRK3 O43781 2/20 0.41
PRKD3 O94806 2/20 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
SCHEMBL17178377 0.84 ROCK2 (0.49) KDM4EALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL4288764 0.82 ROCK2 (0.63) KDM4EALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL16241021 0.67 ROCK2 (0.72) KDM4EALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL4297819 0.66 ROCK2 (0.72) KDM4EALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL3640320 0.65 ROCK2 (0.71) KDM4EALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL6644562 0.62 ALDH1A1 (0.67) KDM4EALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL16586073 0.61 NTRK1 (1.00) KDM4EALDH1A1HPGDHSD17B10NTRK1
SCHEMBL3636482 0.61 GSK3B (0.71) ROCK2GSK3BCDC7PIM1PRKACA
SCHEMBL6642533 0.61 ALDH1A1 (0.65) KDM4EALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL14709960 0.60 KDM4E (0.59) KDM4EALDH1A1HPGDCYP1A2HSD17B10

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
US-9163007-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2015-10-20 US claimed