SCHEMBL2012746

SCHEMBL2012746

OCCc1cc(Cl)c2ccnnc2c1-c1cc(F)cc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
BCL2 P10415 1/20 0.35
CDK1 P06493 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MPI P34949 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2019261 0.89 PIK3CD (0.44) PIK3CDBCL2CDK1KDM4EALDH1A1
SCHEMBL2015599 0.88 BCL2 (0.36) PIK3CDBCL2
SCHEMBL12491178 0.77 BCL2 (0.47) PIK3CDBCL2KDM4E
SCHEMBL2016661 0.77 PIK3CD (0.36) PIK3CDBCL2KDM4EMAPT
SCHEMBL2012742 0.75 PIK3CD (0.46) PIK3CDBCL2KDM4E
SCHEMBL12403232 0.74 BCL2 (0.48) PIK3CDBCL2KDM4E
SCHEMBL2012486 0.74 PIK3CD (0.46) PIK3CDBCL2LMNAMAPTHTT
SCHEMBL2015596 0.72 BCL2 (0.48) PIK3CDBCL2LMNAHTT
Trifluoroacetic Acid SCHEMBL2012078 0.72 BCL2 (0.41) PIK3CDBCL2LMNA
Trifluoroacetic Acid SCHEMBL2013841 0.69 BCL2 (0.42) PIK3CDBCL2

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