SCHEMBL21170076

SCHEMBL21170076

CNCCc1cccc(C(C)CNc2ccc(-c3ccc4[nH]nc(N)c4c3)nn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.40
▸ CDC7 O00311 9/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ DBF4 Q9UBU7 1/20 0.40
▸ JAK2 O60674 14/20 0.39
▸ ROCK2 O75116 11/20 0.39
▸ ROCK1 Q13464 10/20 0.39
▸ AURKB Q96GD4 9/20 0.39
▸ JAK3 P52333 9/20 0.39
▸ DAPK3 O43293 8/20 0.39
▸ CDK1 P06493 8/20 0.39
▸ MARK3 P27448 8/20 0.39
▸ CDK5 Q00535 8/20 0.39
▸ PRKCD Q05655 8/20 0.39
▸ DYRK1A Q13627 8/20 0.39
▸ PRKD2 Q9BZL6 8/20 0.39
▸ PRKACA P17612 7/20 0.39
▸ GSK3B P49841 6/20 0.39
▸ KDR P35968 6/20 0.39
▸ MAPK12 P53778 6/20 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
SCHEMBL21170188 0.89 JAK2 (0.41) CDK2CDC7CCNE1DBF4JAK2
SCHEMBL21170457 0.85 JAK2 (0.40) CDK2CDC7CCNE1DBF4JAK2
SCHEMBL21170165 0.83 CDK2 (0.41) CDK2CDC7CCNE1DBF4JAK2
SCHEMBL21170342 0.80 MAP2K4 (0.39) CDK2CDC7CCNE1DBF4JAK2
SCHEMBL21170349 0.75 JAK2 (0.40) CDK2CDC7CCNE1DBF4JAK2
SCHEMBL14990454 0.73 JAK2 (0.39) CDK2CDC7CCNE1DBF4JAK2
SCHEMBL21170049 0.73 DYRK1A (0.38) CDK2CDC7JAK2ROCK2ROCK1
SCHEMBL12287886 0.72 JAK2 (0.38) CDK2CDC7CCNE1DBF4JAK2
SCHEMBL12287860 0.72 JAK2 (0.41) CDK2CDC7CCNE1DBF4JAK2
SCHEMBL12286793 0.71 JAK2 (0.41) CDK2CDC7CCNE1DBF4JAK2

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-3127541-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2019-07-17 — — EP disclosed
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