SCHEMBL26842138

SCHEMBL26842138

COCC(O)c1ccc(NC(=O)OC(C)(C)C)nn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SYK P43405 1/20 0.36
▸ CYP17A1 P05093 2/20 0.36
▸ ATR Q13535 1/20 0.36
▸ PTGER1 P34995 1/20 0.35
▸ IDO1 P14902 2/20 0.34
▸ GLS O94925 2/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ PCSK9 Q8NBP7 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ AAK1 Q2M2I8 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
SCHEMBL30672455 0.86 LMNA (0.42) LMNAKMT2ASYKCYP17A1ATR
SCHEMBL26839481 0.82 KMT2A (0.44) LMNAKMT2ACYP17A1ATRPTGER1
SCHEMBL30672422 0.82 KMT2A (0.44) LMNAKMT2ACYP17A1ATRPTGER1
SCHEMBL26663508 0.82 HCAR3 (0.38) KMT2AGLSSCN9ACA1CA2
SCHEMBL30672385 0.79 KMT2A (0.47) LMNAKMT2ACYP17A1ATRPTGER1
SCHEMBL26839582 0.79 KMT2A (0.47) LMNAKMT2ACYP17A1ATRPTGER1
SCHEMBL30672253 0.78 KMT2A (0.39) LMNAKMT2ACYP17A1ATRPTGER1
SCHEMBL25317169 0.75 ATR (0.39) KMT2ACYP17A1ATRGLSSCN9A
SCHEMBL31656043 0.75 CYP17A1 (0.39) KMT2ACYP17A1ATRGLSSCN9A
SCHEMBL29442854 0.73 LMNA (0.53) LMNAKMT2ACYP17A1ATRPTGER1

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-2023225664-A1 LACTAM SUBSTITUTED IMIDAZOPYRIDAZINE IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-11-23 — — WO disclosed
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