SCHEMBL2017407

SCHEMBL2017407

Cc1nc(CC=O)c(-c2cccc(F)c2)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
MAT2A P31153 1/20 0.35
AR P10275 2/20 0.35
GCGR P47871 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34

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
SCHEMBL2011676 0.85 KDM4E (0.41) ADORA2ALMNAHPGDGABRPGABRD
SCHEMBL2012012 0.75 PIN1 (0.49) ADORA2APTGDR2
SCHEMBL2163437 0.74 TRPM8 (0.44) ADORA2ATRPM8PTGDR2CYP1A2
SCHEMBL2015782 0.71 NT5E (0.36) ADORA2ALMNAHPGDGABRPGABRD
SCHEMBL2013193 0.71 ADORA2A (0.41) ADORA2AMAT2AGCGRTRPM8
SCHEMBL2016547 0.71 SMN1; SMN2 (0.45) LMNAHPGDTRPM8
SCHEMBL2012708 0.71 CCR1 (0.39) ADORA2AARTNKS2TGFBR1
SCHEMBL12125684 0.70 TAAR1 (0.48) ADORA2ALMNAHPGDGABRPGABRD
SCHEMBL3907818 0.70 AR (0.41) ARTNKS2HCRTR1
SCHEMBL2015837 0.68 KDM4E (0.38) TGFBR1

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
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed