SCHEMBL210443

SCHEMBL210443

CC(=O)N(NCc1ccccc1Cl)[C@H](COC(=O)Nc1cc2ccccc2cn1)CC(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.37
PTGER1 P34995 3/20 0.35
TSHR P16473 2/20 0.35
FSHR P23945 2/20 0.35
MAPKAPK2 P49137 2/20 0.34
NOTUM Q6P988 1/20 0.33
MAPK1 P28482 1/20 0.33
CTSK P43235 1/20 0.33
GCK P35557 1/20 0.33
WNT1 P04628 1/20 0.33
DYRK1A Q13627 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPT P10636 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL213116 0.92 CCKBR (0.37) MAP4K1PTGER1TSHRFSHRMAPKAPK2
SCHEMBL210077 0.91 NOTUM (0.36) NOTUMMAPK1CTSKADORA3ADORA2A
SCHEMBL210644 0.90 NOTUM (0.36) NOTUMCTSKGCKADORA3ADORA2A
SCHEMBL2723586 0.86 MAP4K1 (0.39) MAP4K1PTGER1MAPKAPK2MAPT
SCHEMBL212590 0.86 CTSK (0.36) PTGER1NOTUMCTSKGCKADORA3
SCHEMBL210694 0.85 NOTUM (0.34) NOTUMCTSKADORA3ADORA2AADORA1
SCHEMBL212116 0.85 CTSK (0.36) NOTUMCTSKADORA3ADORA2AADORA1
SCHEMBL212341 0.84 CTSK (0.37) NOTUMCTSKGCKADORA3ADORA2A
SCHEMBL212597 0.84 NOTUM (0.37) NOTUMMAPK1CTSKGCKADORA3
SCHEMBL211462 0.84 CTSK (0.36) NOTUMCTSKADORA3ADORA2AADORA1

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 claimed