SCHEMBL209967

SCHEMBL209967

CC(OC(=O)Nc1cc2ccccc2cn1)[C@H](CCC(=O)O)N(C)C(=O)NCc1cccc(F)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
GCG P01275 1/20 0.34
ABL1 P00519 2/20 0.34
PTGFR P43088 3/20 0.33
NOTUM Q6P988 1/20 0.33
FOLH1 Q04609 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GCK P35557 1/20 0.32
P2RX7 Q99572 1/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
TRPM8 Q7Z2W7 2/20 0.31
ANO1 Q5XXA6 1/20 0.30
MAP3K7 O43318 1/20 0.30
MAP3K6 O95382 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
SCHEMBL2843927 0.94 ABL1 (0.37) CTSKTDP1ABL1MAPK1P2RX7
SCHEMBL210584 0.94 ABL1 (0.37) CTSKTDP1ABL1MAPK1P2RX7
SCHEMBL2840754 0.92 CTSK (0.38) CTSKTDP1GCGABL1NOTUM
SCHEMBL211523 0.92 CTSK (0.38) CTSKTDP1GCGABL1NOTUM
SCHEMBL210875 0.88 ABL1 (0.39) CTSKTDP1ABL1NOTUMPKM
SCHEMBL212050 0.86 ABL1 (0.38) CTSKABL1MAPK1RAB9AALDH1A1
SCHEMBL2839845 0.86 CTSK (0.36) CTSKTDP1GCGABL1PTGFR
SCHEMBL210224 0.86 CTSK (0.36) CTSKTDP1GCGABL1PTGFR
SCHEMBL213143 0.85 CTSK (0.35) CTSKTDP1GCGABL1PTGFR
SCHEMBL210177 0.85 ABL1 (0.35) CTSKABL1MAPK1

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-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed