SCHEMBL2012486

SCHEMBL2012486

Fc1cc(F)cc(-c2c(CCNc3ncnc4[nH]cnc34)cc(Cl)c3ccnnc23)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.46
BCL2 P10415 1/20 0.39
HTT P42858 4/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 3/20 0.32
TTBK1 Q5TCY1 1/20 0.31
TTBK2 Q6IQ55 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
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
SCHEMBL2016865 0.92 PIK3CD (0.56) PIK3CDBCL2HTTLMNASMN1; SMN2
SCHEMBL2012817 0.90 PIK3CD (0.42) PIK3CDBCL2
SCHEMBL2017997 0.89 PIK3CD (0.39) PIK3CDBCL2HTTLMNASMN1; SMN2
SCHEMBL2051059 0.87 PIK3CD (0.53) PIK3CDBCL2LMNATSHRHSD17B10
Trifluoroacetic Acid SCHEMBL2050998 0.85 PIK3CD (0.40) PIK3CDBCL2
SCHEMBL2050306 0.85 PIK3CD (0.42) PIK3CDBCL2HTTLMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL2052496 0.84 PIK3CD (0.35) PIK3CD
SCHEMBL2012713 0.83 PIK3CD (0.55) PIK3CDBCL2HTTLMNAMEN1
SCHEMBL2016719 0.83 PIK3CD (0.47) PIK3CDBCL2HTTLMNASMN1; SMN2
SCHEMBL2052089 0.82 PIK3CD (0.48) PIK3CDBCL2HTTLMNASMN1; SMN2

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