SCHEMBL13963457

SCHEMBL13963457

CNC(c1nn(-c2ccccc2)c(=O)n1Cc1ccccc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.51
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HPGD P15428 1/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ CTSK P43235 1/20 0.38
▸ RGS4 P49798 1/20 0.38
▸ RGS8 P57771 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38

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
SCHEMBL4497212 0.83 ROCK2 (0.46) ROCK2LMNASMN1; SMN2TP53CTSK
SCHEMBL4490611 0.82 ROCK2 (0.53) ROCK2LMNAHPGDCCNB2CDK1
SCHEMBL13973864 0.81 ROCK2 (0.48) ROCK2SMN1; SMN2CTSK
SCHEMBL13963464 0.75 ROCK2 (0.43) ROCK2MAPT
SCHEMBL14408873 0.73 KDM4E (0.44) LMNASMN1; SMN2HPGDCCNB2CDK1
SCHEMBL13963463 0.69 HPGD (0.43) ROCK2HPGDCCNB2CDK1CCNB1
SCHEMBL28976779 0.69 ROCK2 (0.68) ROCK2LMNACCNB2CDK1CCNB1
SCHEMBL3587556 0.69 NPC1 (0.56) ROCK2LMNASMN1; SMN2CTSKRGS4
SCHEMBL4499726 0.68 ROCK2 (0.42) ROCK2HPGD
SCHEMBL13963465 0.67 F11 (0.40) LMNAHPGDTP53MEN1KMT2A

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-7476743-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-01-13 — — US disclosed
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