SCHEMBL14573284

SCHEMBL14573284

CN(C(=O)OC(C)(C)C)c1nccn2c(-c3ccc(NC(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ APBA1 Q02410 1/20 0.39
▸ BCL2 P10415 2/20 0.38
▸ BECN1 Q14457 2/20 0.38
▸ TTK P33981 1/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ ATM Q13315 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ FGFR3 P22607 1/20 0.34

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
SCHEMBL5618111 0.77 TTK (0.41) MAPTSMN1; SMN2KMT2AMEN1TTK
SCHEMBL14573283 0.73 TTK (0.46) MAPTLMNATP53TTKFGFR3
SCHEMBL4535523 0.73 KMT2A (0.47) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL12271909 0.70 FGFR3 (0.33) ALDH1A1FGFR3KDR
SCHEMBL17203013 0.69 KMT2A (0.55) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL3573967 0.68 MAPT (0.66) MAPTSMN1; SMN2KMT2AMEN1GAA
SCHEMBL4631425 0.67 ALDH1A1 (0.56) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL12272621 0.66 DYRK1A (0.39) ALDH1A1FGFR3KDR
SCHEMBL25296383 0.66 SCD (0.46) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL1492829 0.66 PORCN (0.73) MAPTSMN1; SMN2KMT2AMEN1GAA

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
US-7186832-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-03-06 — — US disclosed
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