SCHEMBL2861995

SCHEMBL2861995

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.34
P2RX4 Q99571 1/20 0.33
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
JAK3 P52333 1/20 0.31
ERBB4 Q15303 1/20 0.31
ANO1 Q5XXA6 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
RPS6KA1 Q15418 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
SCHEMBL4341222 0.91 ABL1 (0.34) ABL1P2RX4ANO1MAPK1RPS6KA1
SCHEMBL209633 0.91 ABL1 (0.34) ABL1P2RX4ANO1
SCHEMBL2839842 0.90 ABL1 (0.33) ABL1P2RX4
SCHEMBL212529 0.90 ABL1 (0.33) ABL1P2RX4
SCHEMBL213942 0.89 ABL1 (0.34) ABL1P2RX4
SCHEMBL210583 0.89 ABL1 (0.33) ABL1P2RX4
SCHEMBL211437 0.88 CARM1 (0.35) ABL1P2RX4ANO1
SCHEMBL253436 0.88 ABL1 (0.32) ABL1P2RX4
SCHEMBL210176 0.88 ABL1 (0.33) ABL1P2RX4EGFRMAPK1
SCHEMBL212238 0.87 P2RX4 (0.32) ABL1P2RX4

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