SCHEMBL19003221

SCHEMBL19003221

O=C(O)[C@@H]1CC[C@H](n2cnc3c(Cl)ncnc32)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ ADORA2A P29274 2/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ HIF1A Q16665 1/20 0.40
▸ AHCY P23526 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ TYMP P19971 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALB P02768 1/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP2C9 P11712 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
SCHEMBL24600792 0.84 LMNA (0.47) PDE4DP2RX7ALDH1A1LMNATP53
SCHEMBL22820040 0.79 CYP2C19 (0.42) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL24021920 0.79 ALDH1A1 (0.47) PDE4APDE4BPDE4CPDE4DHIF1A
SCHEMBL2035453 0.79 ALDH1A1 (0.60) HIF1AALDH1A1MAPK1LMNAALB
SCHEMBL24600957 0.79 ALDH1A1 (0.60) HIF1AALDH1A1MAPK1LMNAALB
SCHEMBL2035452 0.79 ALDH1A1 (0.60) HIF1AALDH1A1MAPK1LMNAALB
SCHEMBL6838208 0.78 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL12826793 0.77 PDE4D (0.55) PDE4DADORA2ALMNATP53ADORA3
SCHEMBL24021895 0.76 ALDH1A1 (0.45) PDE4APDE4BPDE4CPDE4DP2RX7
SCHEMBL15713382 0.74 DNPH1 (0.47) PDE4DALDH1A1MAPK1LMNAALB

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-2137202-B1 PROCESS FOR THE SYNTHESIS OF IB-MECA CAN-FITE BIOPHARMA LTD (IL) 2017-06-21 — — EP disclosed
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