SCHEMBL2017028

SCHEMBL2017028

O=C(c1ccccc1F)N1CCN(c2c(CCNc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 3/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK10 P53779 2/20 0.38
PAK1 Q13153 2/20 0.37
PARP1 P09874 3/20 0.36
MAPK8 P45983 1/20 0.36
GBA1 P04062 1/20 0.36
PDPK1 O15530 1/20 0.36
RPS6KB1 P23443 1/20 0.36
NPY2R P49146 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL2014635 0.89 LMNA (0.40) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2015850 0.89 L3MBTL1 (0.37) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2017422 0.88 MAPT (0.43) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2012342 0.86 MAPT (0.42) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2016487 0.86 GBA1 (0.35) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2012273 0.85 HTT (0.39) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2013837 0.85 BTK (0.37) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2013366 0.84 CCR4 (0.37) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL2015620 0.84 SMO (0.40) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2017026 0.83 PIK3CD (0.44) LMNAMAPTALDH1A1SMN1; SMN2KDM4E

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 claimed