SCHEMBL488776

SCHEMBL488776

Nc1ncc(-c2cccc(NS(=O)(=O)CCN3CCC(C(=O)CO)C3)c2)nc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.39
TYRO3 Q06418 9/20 0.36
MET P08581 2/20 0.36
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ACKR3 P25106 1/20 0.34
MAP4K4 O95819 1/20 0.33
ATR Q13535 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL10216235 0.90 TYRO3 (0.39) CSF1RTYRO3METPIK3CDPIK3CA
SCHEMBL488117 0.90 TYRO3 (0.39) CSF1RTYRO3METPIK3CDPIK3CA
SCHEMBL30452859 0.90 TYRO3 (0.39) CSF1RTYRO3METPIK3CDPIK3CA
SCHEMBL30453003 0.90 TYRO3 (0.39) CSF1RTYRO3METPIK3CDPIK3CA
SCHEMBL488417 0.90 TYRO3 (0.39) CSF1RTYRO3METPIK3CDPIK3CA
SCHEMBL488554 0.89 TYRO3 (0.40) CSF1RTYRO3METPIK3CDPIK3CA
SCHEMBL30452628 0.89 TYRO3 (0.40) CSF1RTYRO3METPIK3CDPIK3CA
SCHEMBL488444 0.87 CSF1R (0.38) CSF1RTYRO3METPIK3CDPIK3CA
SCHEMBL30452916 0.87 CSF1R (0.38) CSF1RTYRO3METPIK3CDPIK3CA
SCHEMBL487930 0.86 MAP4K4 (0.45) CSF1RTYRO3METPIK3CDPIK3CA

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-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed