SCHEMBL2017997

SCHEMBL2017997

Cc1cc(CCNc2ncnc3[nH]cnc23)c(-c2cc(F)cc(F)c2)c2nnccc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.39
BCL2 P10415 1/20 0.33
HTT P42858 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPK1 P28482 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.31
GFER P55789 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL2052089 0.92 PIK3CD (0.48) PIK3CDBCL2HTTSMN1; SMN2MAPK1
SCHEMBL2012486 0.89 PIK3CD (0.46) PIK3CDBCL2HTTSMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL2052496 0.84 PIK3CD (0.35) PIK3CD
SCHEMBL2016719 0.83 PIK3CD (0.47) PIK3CDBCL2HTTSMN1; SMN2MAPK1
SCHEMBL2016865 0.82 PIK3CD (0.56) PIK3CDBCL2HTTSMN1; SMN2MAPK1
SCHEMBL2012817 0.82 PIK3CD (0.42) PIK3CDBCL2
SCHEMBL2014148 0.81 PIK3CD (0.47) PIK3CDHTTSMN1; SMN2MAPK1LMNA
SCHEMBL2017994 0.79 PIK3CD (0.55) PIK3CDBCL2
SCHEMBL2051059 0.77 PIK3CD (0.53) PIK3CDBCL2LMNATSHRHSD17B10
SCHEMBL2050306 0.77 PIK3CD (0.42) PIK3CDBCL2HTTSMN1; SMN2MAPK1

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