SCHEMBL5259529

SCHEMBL5259529

C[C@H](Cc1cccc(CNC(=O)OC(C)(C)C)c1)Nc1nccc(N(C)c2nc(-c3ccccc3)cc3ncnn23)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 7/20 0.36
▸ ACACA Q13085 5/20 0.36
▸ CCKBR P32239 1/20 0.36
▸ NAMPT P43490 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ GLS O94925 1/20 0.34
▸ MAPK14 Q16539 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ SCN9A Q15858 1/20 0.32

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
SCHEMBL5310133 0.86 EPHB4 (0.38) MAPK14
SCHEMBL5315338 0.86 EPHB4 (0.38) MAPK14
SCHEMBL6417723 0.85 CFD (0.34) MAPK14
SCHEMBL6415985 0.85 ACACB (0.37) ACACBACACACYP3A4CYP1A2CYP2C9
SCHEMBL5914098 0.83 MAPK14 (0.39) ACACBACACACCKBRNAMPTCYP3A4
SCHEMBL5914093 0.83 MAPK14 (0.39) ACACBACACACCKBRNAMPTCYP3A4
SCHEMBL6431698 0.81 KDR (0.41) CYP3A4CYP2C9
SCHEMBL5914251 0.79 BRD4 (0.38) CYP3A4BRD4GLSMAPK14SCN9A
SCHEMBL5914249 0.79 BRD4 (0.38) CYP3A4BRD4GLSMAPK14SCN9A
SCHEMBL6415740 0.79 KDR (0.33) CYP3A4CYP2C9MAPK14

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
EP-1765825-A1 CONDENSED TRIAZOLES AND INDAZOLES USEFUL IN TREATING CITOKINES MEDIATED DISEASES AND OTHER DISEASES AMGEN INC. (US) 2007-03-28 — — EP disclosed
WO-2006004702-A1 CONDENSED TRIAZOLES AND INDAZOLES USEFUL IN TREATING CITOKINES MEDIATED DISEASES AND OTHER DISEASES AMGEN INC. (US) 2006-01-12 — — WO disclosed
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