SCHEMBL18863352

SCHEMBL18863352

CO[C@@H](C)c1c(NC(=O)Nc2cc[n+](O)c(C(F)F)c2)cnc2cc(F)nn12

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 20/20 0.56
▸ BIRC3 Q13489 2/20 0.51

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
SCHEMBL18839603 0.91 MALT1 (0.55) MALT1BIRC3
SCHEMBL18839604 0.91 MALT1 (0.55) MALT1BIRC3
SCHEMBL29672172 0.91 MALT1 (0.55) MALT1BIRC3
SCHEMBL18839679 0.83 MALT1 (0.66) MALT1BIRC3
SCHEMBL18839678 0.83 MALT1 (0.66) MALT1BIRC3
SCHEMBL17292932 0.81 MALT1 (0.84) MALT1BIRC3
SCHEMBL17292930 0.81 MALT1 (0.84) MALT1BIRC3
SCHEMBL18839583 0.80 MALT1 (0.64) MALT1BIRC3
SCHEMBL18839581 0.80 MALT1 (0.64) MALT1BIRC3
SCHEMBL18839565 0.78 MALT1 (0.81) MALT1BIRC3

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-2017081641-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2017-05-18 — — WO disclosed
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