SCHEMBL30687876

SCHEMBL30687876

CCOc1cncc(-c2cc(CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCCSc6ccccc6)c(C(F)(F)F)c5)nn4)CC3)cc(OCC)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 16/20 0.42
▸ BCL2 P10415 11/20 0.42
▸ MCL1 Q07820 4/20 0.35
▸ BCL2L2 Q92843 1/20 0.35
▸ DCTPP1 Q9H773 1/20 0.35
▸ BAK1 Q16611 1/20 0.34

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
SCHEMBL26680308 1.00 BCL2L1 (0.42) BCL2L1BCL2MCL1BCL2L2DCTPP1
SCHEMBL26680478 0.97 BCL2L1 (0.41) BCL2L1BCL2MCL1BCL2L2DCTPP1
SCHEMBL30687728 0.96 BCL2L1 (0.42) BCL2L1BCL2MCL1BCL2L2DCTPP1
SCHEMBL26683279 0.96 BCL2L1 (0.41) BCL2L1BCL2MCL1BCL2L2DCTPP1
SCHEMBL26681972 0.96 BCL2L1 (0.42) BCL2L1BCL2MCL1BCL2L2DCTPP1
SCHEMBL26682186 0.96 BCL2L1 (0.41) BCL2L1BCL2MCL1BCL2L2DCTPP1
SCHEMBL30687686 0.94 BCL2L1 (0.42) BCL2L1BCL2MCL1BCL2L2DCTPP1
SCHEMBL26681359 0.94 BCL2L1 (0.42) BCL2L1BCL2MCL1BCL2L2DCTPP1
SCHEMBL26682749 0.92 BCL2L1 (0.41) BCL2L1BCL2MCL1
SCHEMBL26680464 0.92 BCL2L1 (0.41) BCL2L1BCL2MCL1BCL2L2DCTPP1

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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