SCHEMBL20913179

SCHEMBL20913179

COC(C)C(OC)c1c(C(=O)O)cnc2cc(Cl)nn12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 19/20 0.45
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ BIRC3 Q13489 1/20 0.39

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
SCHEMBL18862730 1.00 MALT1 (0.45) MALT1KDM4ENPC1LMNATP53
SCHEMBL18787694 1.00 MALT1 (0.45) MALT1KDM4ENPC1LMNATP53
SCHEMBL17293051 0.92 MALT1 (0.52) MALT1KDM4ENPC1LMNATP53
SCHEMBL17293052 0.92 MALT1 (0.52) MALT1KDM4ENPC1LMNATP53
SCHEMBL18787657 0.92 MALT1 (0.52) MALT1KDM4ENPC1LMNATP53
SCHEMBL18787821 0.86 MALT1 (0.55) MALT1KDM4ENPC1LMNATP53
SCHEMBL17293010 0.86 MALT1 (0.55) MALT1KDM4ENPC1LMNATP53
SCHEMBL17293012 0.86 MALT1 (0.55) MALT1KDM4ENPC1LMNATP53
SCHEMBL17292958 0.83 MALT1 (0.47) MALT1KDM4ENPC1LMNATP53
SCHEMBL18787670 0.83 MALT1 (0.53) MALT1KDM4ENPC1LMNATP53

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-3149001-B1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHIBITORS NOVARTIS AG (CH) 2019-04-24 — — EP disclosed
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