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SCHEMBL31403142

SCHEMBL31403142

Cn1c2ccccc2c2ccnc(NCc3nccc4c5ccccc5n(CCCc5ccccc5)c34)c21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 3/20 0.47
▸ KDR P35968 4/20 0.42
▸ KLKB1 P03952 1/20 0.42
▸ KLK1 P06870 1/20 0.42
▸ CXCR4 P61073 2/20 0.41
▸ USP2 O75604 2/20 0.39
▸ UTS2R Q9UKP6 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SIGMAR1 Q99720 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
SCHEMBL31402856 0.96 MCL1 (0.47) MCL1KDRKLKB1KLK1CXCR4
SCHEMBL31402863 0.90 MCL1 (0.47) MCL1KDRKLKB1KLK1CXCR4
SCHEMBL31402884 0.89 MCL1 (0.50) MCL1KLKB1KLK1CXCR4UTS2R
SCHEMBL27939706 0.85 MCL1 (0.52) MCL1KDRKLKB1KLK1USP2
SCHEMBL31402875 0.85 MCL1 (0.49) MCL1KDRKLKB1KLK1CXCR4
SCHEMBL31402850 0.84 UTS2R (0.44) MCL1CXCR4UTS2R
SCHEMBL31402870 0.84 MCL1 (0.50) MCL1CXCR4UTS2R
SCHEMBL31402858 0.84 MCL1 (0.41) MCL1KDRKLKB1KLK1USP2
SCHEMBL31402865 0.84 MCL1 (0.43) MCL1KDRKLKB1KLK1CXCR4
SCHEMBL31402867 0.82 KDM4E (0.43) MCL1KDRKLKB1KLK1CXCR4

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
CN-119751487-A C-N bond bridged bis-beta-carboline derivative and preparation method and application thereof 石河子大学 2025-04-04 — — CN disclosed