SCHEMBL2017406

SCHEMBL2017406

Fc1ccccc1-c1c(CCNc2ncnc3[nH]cnc23)ccc2cccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.39
HTT P42858 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MAPK1 P28482 3/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PIK3CD O00329 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
GFER P55789 1/20 0.35
TSHR P16473 3/20 0.33
HSD17B10 Q99714 2/20 0.33
NUDT1 P36639 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32

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
SCHEMBL2052398 0.85 PIK3CD (0.44) LMNAHTTSMN1; SMN2MAPK1MEN1
SCHEMBL2011286 0.83 PIK3CD (0.40) LMNAHTTSMN1; SMN2MAPK1MEN1
SCHEMBL2013295 0.83 PIK3CD (0.53) LMNAHTTSMN1; SMN2MAPK1PIK3CD
SCHEMBL2050742 0.81 PIK3CD (0.42) LMNAHTTSMN1; SMN2MAPK1MEN1
SCHEMBL20119349 0.79 HTT (0.47) LMNAHTTSMN1; SMN2MAPK1MEN1
SCHEMBL2016174 0.77 PIK3CD (0.54) LMNASMN1; SMN2PIK3CDMAPTHSD17B10
SCHEMBL2016907 0.76 KDM4E (0.44) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL4443103 0.75 LMNA (0.40) LMNAHTTSMN1; SMN2MAPK1MEN1
SCHEMBL2015901 0.74 MAPK1 (0.48) LMNAHTTSMN1; SMN2MAPK1PIK3CD
SCHEMBL2010932 0.73 KDM4E (0.43) LMNAHTTSMN1; SMN2MEN1KMT2A

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