SCHEMBL30687611

SCHEMBL30687611

CCOc1cncc(-c2ccc(CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCCSc6ccccc6)c(C(F)(F)F)c5)nn4)CC3)cc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 17/20 0.42
▸ BCL2 P10415 14/20 0.42
▸ MCL1 Q07820 2/20 0.35

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
SCHEMBL26680618 1.00 BCL2L1 (0.42) BCL2L1BCL2MCL1
SCHEMBL26657749 0.95 BCL2L1 (0.42) BCL2L1BCL2MCL1
SCHEMBL30687807 0.95 BCL2L1 (0.42) BCL2L1BCL2MCL1
SCHEMBL26682115 0.94 BCL2L1 (0.42) BCL2L1BCL2
SCHEMBL30687873 0.94 BCL2L1 (0.42) BCL2L1BCL2
SCHEMBL30687876 0.91 BCL2L1 (0.42) BCL2L1BCL2MCL1
SCHEMBL26682448 0.91 BCL2L1 (0.50) BCL2L1BCL2
SCHEMBL26680308 0.91 BCL2L1 (0.42) BCL2L1BCL2MCL1
SCHEMBL30687813 0.91 BCL2L1 (0.50) BCL2L1BCL2
SCHEMBL30687834 0.91 BCL2L1 (0.45) BCL2L1BCL2MCL1

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-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 — — EP disclosed
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