SCHEMBL2840286

SCHEMBL2840286

[CH2]C(C)(C)C[C@@H](COC(=O)Nc1cc2cc(F)ccc2cn1)N(C)C(=O)NCc1cccc(F)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.33
ANO1 Q5XXA6 1/20 0.32
MAPK1 P28482 1/20 0.31
RPS6KA1 Q15418 1/20 0.31
CDK9 P50750 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
P2RX7 Q99572 1/20 0.30
PIK3C3 Q8NEB9 1/20 0.30

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
SCHEMBL212408 0.94 ANO1 (0.34) ABL1ANO1MAPK1RPS6KA1GSK3B
SCHEMBL211561 0.92 ABL1 (0.32) ABL1ANO1MAPK1RPS6KA1GSK3B
SCHEMBL211562 0.92 ABL1 (0.32) ABL1ANO1MAPK1RPS6KA1GSK3B
SCHEMBL211560 0.92 ABL1 (0.32) ABL1ANO1MAPK1RPS6KA1GSK3B
SCHEMBL2725708 0.92 ABL1 (0.32) ABL1ANO1MAPK1RPS6KA1
SCHEMBL212492 0.91 ABL1 (0.32) ABL1ANO1MAPK1RPS6KA1P2RX7
SCHEMBL2722512 0.91 ABL1 (0.36) ABL1ANO1
SCHEMBL4341224 0.91 ABL1 (0.34) ABL1ANO1MAPK1RPS6KA1P2RX7
SCHEMBL211782 0.90 ABL1 (0.32) ABL1ANO1MAPK1RPS6KA1
SCHEMBL211783 0.90 ABL1 (0.32) ABL1ANO1MAPK1RPS6KA1

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
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO disclosed