SCHEMBL2804588

SCHEMBL2804588

NC(=O)c1cnn(-c2ccc(Cl)cc2)c1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.71
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 1/20 0.61
TSHR P16473 2/20 0.60
PTPN1 P18031 2/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
PTGS1 P23219 1/20 0.53
LOX P28300 1/20 0.53
PTGS2 P35354 1/20 0.53
CA9 Q16790 1/20 0.53
MAPK14 Q16539 4/20 0.51
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL3374632 0.87 PTPN1 (0.69) RIPK2RAB9ASMN1; SMN2TSHRPTPN1
SCHEMBL4696735 0.84 RIPK2 (0.71) RIPK2RAB9ASMN1; SMN2LMNATSHR
SCHEMBL1692019 0.84 RIPK2 (0.71) RIPK2RAB9ASMN1; SMN2LMNATSHR
SCHEMBL3830233 0.84 RIPK2 (0.71) RIPK2RAB9ASMN1; SMN2LMNAPTPN1
SCHEMBL2743084 0.83 RIPK2 (1.00) RIPK2RAB9ASMN1; SMN2LMNAMAPK14
SCHEMBL2834342 0.83 RIPK2 (0.70) RIPK2RAB9ASMN1; SMN2LMNATSHR
SCHEMBL7510664 0.83 KMT2A (0.56) RIPK2RAB9ATSHRPTGS2ALDH1A1
SCHEMBL2786396 0.80 MAPK14 (0.70) RIPK2RAB9ASMN1; SMN2LMNATSHR
SCHEMBL18216831 0.80 RIPK2 (0.66) RIPK2RAB9ASMN1; SMN2LMNATSHR
SCHEMBL4883305 0.79 MAPT (0.57) RIPK2RAB9ASMN1; SMN2LMNATSHR

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-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed