SCHEMBL19261433

SCHEMBL19261433

CS(=O)(=O)c1ccc(N[C@H](CCN2CCCCC2)CSc2ccccc2)c(S(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 15/20 0.72
▸ BCL2 P10415 14/20 0.53
▸ BAD Q92934 1/20 0.48

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
SCHEMBL19263461 0.92 BCL2L1 (0.84) BCL2L1BCL2BAD
SCHEMBL30405101 0.91 BCL2L1 (0.85) BCL2L1BCL2
SCHEMBL31570836 0.91 BCL2L1 (0.85) BCL2L1BCL2
SCHEMBL24633503 0.90 BCL2L1 (0.87) BCL2L1BCL2
SCHEMBL22879158 0.90 BCL2L1 (0.87) BCL2L1BCL2
SCHEMBL29424547 0.90 BCL2L1 (0.87) BCL2L1BCL2
SCHEMBL20305899 0.89 BCL2L1 (0.66) BCL2L1BCL2
SCHEMBL19145119 0.85 BCL2L1 (0.84) BCL2L1BCL2BAD
SCHEMBL25423839 0.84 BCL2L1 (0.94) BCL2L1BCL2
SCHEMBL25423836 0.84 BCL2L1 (0.94) BCL2L1BCL2

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-9737535-B2 Methods for treating cancer using TOR kinase inhibitor combination therapy comprising administering substituted pyrazino[2,3-b]pyrazines SIGNAL PHARMACEUTICALS, LLC (US) 2017-08-22 — — US disclosed
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