SCHEMBL29503447

SCHEMBL29503447

CCn1cc(I)c2c(N)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.59
ROCK2 O75116 1/20 0.59
PRKD3 O94806 1/20 0.59
MAP4K4 O95819 1/20 0.59
PHKG2 P15735 1/20 0.59
PRKACA P17612 1/20 0.59
RPS6KB1 P23443 1/20 0.59
MARK3 P27448 1/20 0.59
FLT3 P36888 1/20 0.59
CSNK1A1 P48729 1/20 0.59
CSNK1D P48730 1/20 0.59
CLK2 P49760 1/20 0.59
IRAK1 P51617 1/20 0.59
CSNK1G2 P78368 1/20 0.59
MAP4K2 Q12851 1/20 0.59
ROCK1 Q13464 1/20 0.59
CAMK2G Q13555 1/20 0.59
CAMK2D Q13557 1/20 0.59
DYRK1A Q13627 1/20 0.59
MELK Q14680 1/20 0.59

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
SCHEMBL3782622 1.00 DYRK3 (0.59) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL16236518 0.87 DYRK3 (0.57) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL16236495 0.83 DYRK3 (0.67) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL31568623 0.83 DYRK3 (0.56) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL16236954 0.83 DYRK3 (0.56) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL23966679 0.81 DYRK3 (0.60) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL16236958 0.81 DYRK3 (0.60) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL16236628 0.80 FLT3 (0.53) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL23966776 0.80 DYRK3 (0.56) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL16236364 0.80 FLT3 (0.53) DYRK3ROCK2PRKD3MAP4K4PHKG2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110194772-B Alkynyl (hetero) aromatic ring compounds for inhibiting protein kinase activity 深圳市塔吉瑞生物医药有限公司 2022-04-05 CN disclosed
CN-109311894-B N- (substituted-phenyl) -sulfonamide derivatives as kinase inhibitors 内尔维阿诺医学科学有限公司 2022-03-22 CN disclosed