SCHEMBL2013942

SCHEMBL2013942

OC1CCN(c2c(CCNc3ncnc4nc[nH]c34)cc(F)c3cccnc23)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 8/20 0.45
LMNA P02545 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPK1 P28482 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 2/20 0.44
GFER P55789 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
BRAF P15056 2/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.39
PIK3CD O00329 2/20 0.39
KDR P35968 2/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 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
SCHEMBL2013539 0.90 LMNA (0.33) HTTLMNASMN1; SMN2MAPK1L3MBTL1
SCHEMBL2013535 0.90 LMNA (0.33) HTTLMNASMN1; SMN2MAPK1L3MBTL1
SCHEMBL2015754 0.86 HTT (0.44) HTTLMNASMN1; SMN2MAPK1L3MBTL1
SCHEMBL2015752 0.86 HTT (0.44) HTTLMNASMN1; SMN2MAPK1L3MBTL1
SCHEMBL2014977 0.80 SLC40A1 (0.38) HTTLMNASMN1; SMN2MAPK1L3MBTL1
SCHEMBL2014980 0.80 SLC40A1 (0.38) HTTLMNASMN1; SMN2MAPK1L3MBTL1
SCHEMBL2014290 0.78 KDM4E (0.36) LMNAL3MBTL1MAPTMEN1KMT2A
SCHEMBL2014289 0.78 KDM4E (0.36) LMNAL3MBTL1MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL2013515 0.76 SLC40A1 (0.36) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL2017050 0.76 SLC40A1 (0.40) HTTLMNASMN1; SMN2MAPK1L3MBTL1

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