SCHEMBL2867935

SCHEMBL2867935

C[C](O)C[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(NCc1cccc(F)c1Cl)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.35
NOTUM Q6P988 1/20 0.34
CTSK P43235 1/20 0.33
ABL1 P00519 5/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 1/20 0.32
ANO1 Q5XXA6 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GCK P35557 3/20 0.31
CTSA P10619 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
LMNA P02545 1/20 0.30
MTOR P42345 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
SCHEMBL210223 0.91 CTSK (0.34) P2RX4NOTUMCTSKABL1TDP1
SCHEMBL212117 0.91 CTSK (0.35) P2RX4NOTUMCTSKABL1TDP1
SCHEMBL2840212 0.90 P2RX4 (0.33) P2RX4NOTUMCTSKABL1TDP1
SCHEMBL8510311 0.90 P2RX4 (0.34) P2RX4NOTUMCTSKABL1TDP1
SCHEMBL213060 0.89 CTSK (0.35) P2RX4NOTUMCTSKABL1TDP1
SCHEMBL212975 0.89 P2RX4 (0.33) P2RX4NOTUMCTSKABL1TDP1
SCHEMBL2840024 0.89 P2RX4 (0.33) P2RX4NOTUMCTSKABL1TDP1
SCHEMBL209633 0.89 ABL1 (0.34) P2RX4ABL1ANO1CTSA
SCHEMBL212607 0.89 CTSK (0.35) P2RX4NOTUMCTSKABL1TDP1
SCHEMBL209966 0.89 CTSK (0.34) P2RX4NOTUMCTSKABL1TDP1

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