SCHEMBL2017422

SCHEMBL2017422

O=C(c1cccc(F)c1)N1CCN(c2c(CCNc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
MAPK10 P53779 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
MAPK8 P45983 3/20 0.38
SLC40A1 Q9NP59 2/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
PIK3CD O00329 1/20 0.37
CYP3A4 P08684 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPY2R P49146 1/20 0.36
HPGD P15428 1/20 0.36

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 0.93 LMNA (0.40) MAPTMAPK10SMN1; SMN2HTTMAPK8
SCHEMBL2017028 0.88 LMNA (0.43) MAPTMAPK10SMN1; SMN2HTTMAPK8
SCHEMBL2015850 0.87 L3MBTL1 (0.37) MAPTSMN1; SMN2HTTSLC40A1ALDH1A1
SCHEMBL2012342 0.85 MAPT (0.42) MAPTSMN1; SMN2HTTALDH1A1CYP3A4
SCHEMBL2016487 0.85 GBA1 (0.35) MAPTSMN1; SMN2HTTALDH1A1CYP3A4
SCHEMBL2013837 0.85 BTK (0.37) MAPTSMN1; SMN2HTTSLC40A1ALDH1A1
SCHEMBL2012273 0.85 HTT (0.39) MAPTSMN1; SMN2HTTALDH1A1GAA
SCHEMBL2017420 0.84 PIK3CD (0.50) MAPTMAPK10SMN1; SMN2HTTSLC40A1
SCHEMBL2013366 0.83 CCR4 (0.37) MAPTSMN1; SMN2HTTSLC40A1ALDH1A1
SCHEMBL2015620 0.83 SMO (0.40) MAPTSMN1; SMN2HTTSLC40A1ALDH1A1

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