SCHEMBL9987045

SCHEMBL9987045

CC(N)c1c(C#N)c2ccccc2n1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
PIK3CD O00329 2/20 0.36
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
USP14 P54578 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
STAT3 P40763 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9999291 0.86 PIK3CD (0.41) EGFRSRCPIK3CDPIK3R1PIK3CA
SCHEMBL9987042 0.83 TSHR (0.40) KDM4EEGFRSRCTSHRLMNA
SCHEMBL1075868 0.76 KDM4E (0.42) KDM4EEGFRSRCTSHRLMNA
SCHEMBL1078159 0.74 MAPT (0.46) KDM4EEGFRSRCTSHRLMNA
SCHEMBL23886687 0.72 KDM4E (0.40) KDM4ETSHRLMNAMAPTHTT
SCHEMBL30176314 0.72 KDM4E (0.40) KDM4ETSHRLMNAMAPTHTT
SCHEMBL9987968 0.71 ALDH1A1 (0.49) KDM4ELMNAMAPTHTTALDH1A1
SCHEMBL12387050 0.70 MEN1 (0.43) KDM4ETSHRLMNAMAPTHTT
SCHEMBL23886832 0.70 KDM4E (0.39) KDM4ELMNAMAPTHTTPIK3CA
SCHEMBL30176358 0.70 KDM4E (0.39) KDM4ELMNAMAPTHTTPIK3CA

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-2011163195-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-12-29 WO disclosed