SCHEMBL5550098

SCHEMBL5550098

Cc1nc(Cl)c2nn(C(C)(C)C)c(=O)n2c1C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PAX8 Q06710 1/20 0.31

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
SCHEMBL5549348 0.84 — —
SCHEMBL5549269 0.67 SMN1; SMN2 (0.33) KDM4EALDH1A1HPGD
SCHEMBL21718992 0.59 — —
SCHEMBL21720652 0.59 — —
SCHEMBL13148356 0.59 GLS (0.41) ALDH1A1HPGD
SCHEMBL12621275 0.57 PARP1 (0.37) HPGD
SCHEMBL21954968 0.57 ALDH1A1 (0.43) KDM4EJAK2ALDH1A1LMNAHPGD
SCHEMBL21721162 0.56 SMN1; SMN2 (0.33) HPGD
SCHEMBL21720941 0.56 P2RX7 (0.32) —
SCHEMBL21720796 0.56 — —

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
EP-1678180-B1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2007-08-08 — — EP disclosed
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