SCHEMBL9987968

SCHEMBL9987968

COC(=O)c1c(C#N)c2ccccc2n1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK8 P45983 5/20 0.43
MAPT P10636 2/20 0.40
MAPK9 P45984 2/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPK1 P28482 1/20 0.40
STAT3 P40763 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
DHODH Q02127 1/20 0.38
SLC16A1 P53985 1/20 0.38
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9986551 0.87 ALDH1A1 (0.46) ALDH1A1KMT2AMAPK8MAPTMAPK9
SCHEMBL9987965 0.84 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPK8MAPT
SCHEMBL1076907 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL15452835 0.73 MAPK8 (0.50) ALDH1A1KMT2AMEN1MAPK8MAPT
SCHEMBL9986322 0.73 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPK1STAT3
SCHEMBL12387050 0.72 MEN1 (0.43) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL9986429 0.72 TRPM8 (0.36) ALDH1A1KMT2AMEN1MAPK8MAPK1
SCHEMBL9987521 0.72 CCR2 (0.46) ALDH1A1KMT2AMEN1KDM4EMAPK1
SCHEMBL9987045 0.71 KDM4E (0.39) ALDH1A1MAPTKDM4EMAPK1STAT3
SCHEMBL27928721 0.71 MAPK8 (0.46) ALDH1A1KMT2AMEN1MAPK8MAPK9

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