SCHEMBL8091838

SCHEMBL8091838

Nc1cc(C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc(-c2ccc(NC(=O)Nc3ccon3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MTOR P42345 2/20 0.43
RAB9A P51151 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
NPC1 O15118 1/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL8099967 0.92 RAB9A (0.41) KMT2AMEN1MTORRAB9APOLB
SCHEMBL8090195 0.86 RAB9A (0.47) KMT2AMEN1MTORRAB9APOLB
SCHEMBL8083976 0.85 NPC1 (0.52) KMT2AMEN1MTORRAB9APOLB
SCHEMBL8093540 0.84 RAB9A (0.39) KMT2AMEN1MTORRAB9APOLB
SCHEMBL8084988 0.82 RAB9A (0.41) KMT2AMEN1MTORRAB9APOLB
SCHEMBL8098775 0.82 CA1 (0.43) KMT2AMEN1MTORMAPTPIK3CA
SCHEMBL4003207 0.82 PIK3CA (0.52) MTORPIK3CAPIK3CG
SCHEMBL8090158 0.81 MTOR (0.46) MTORPIK3CAPIK3CGCA2CA9
SCHEMBL8098814 0.81 EPHX1 (0.47) KMT2AMEN1RAB9APOLBMAPT
SCHEMBL8096186 0.81 MAPT (0.41) MAPTPIK3CACA2CA9CA12

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-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed