SCHEMBL24021920

SCHEMBL24021920

CC(=O)CC1CCC(n2cnc3c(Cl)ncnc32)O1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALB P02768 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ P2RX7 Q99572 2/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ RIN1 Q13671 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ ADA P00813 1/20 0.38
▸ TYMP P19971 1/20 0.38

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
SCHEMBL24021895 0.86 ALDH1A1 (0.45) ALDH1A1LMNAALBMAPK1PDE4A
SCHEMBL2035452 0.84 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL24600957 0.84 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL2035453 0.84 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL27574575 0.81 BCHE (0.44) ALDH1A1LMNAALBMAPK1PDE4A
SCHEMBL19003220 0.80 BCHE (0.43) ALDH1A1LMNAALBMAPK1PDE4A
SCHEMBL15713382 0.79 DNPH1 (0.47) ALDH1A1LMNAALBMAPK1PDE4D
SCHEMBL23584557 0.79 ALDH1A1 (0.43) ALDH1A1LMNAALBMAPK1PDE4A
SCHEMBL19003221 0.79 PDE4A (0.43) ALDH1A1LMNAALBMAPK1PDE4A
SCHEMBL22820040 0.78 CYP2C19 (0.42) ALDH1A1LMNAALBMAPK1PDE4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4008403-A1 CYCLIC DI-NUCLEOTIDES COMPOUNDS FOR THE TREATMENT OF CANCER Eisai R&D Management Co., Ltd. (JP) 2022-06-08 — — EP disclosed
EP-3582853-B1 CYCLIC DI-NUCLEOTIDES COMPOUNDS FOR THE TREATMENT OF CANCER EISAI R&D MAN CO LTD (JP) 2021-11-17 — — EP disclosed
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