SCHEMBL29863356

SCHEMBL29863356

CC(C)(C)OC(=O)Nc1ncnc2c1ncn2Cc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.43
▸ PDE4A P27815 3/20 0.41
▸ PDE4B Q07343 3/20 0.41
▸ PDE4C Q08493 3/20 0.41
▸ PDE4D Q08499 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.40
▸ P2RX7 Q99572 2/20 0.40
▸ FGFR1 P11362 4/20 0.39
▸ FGFR4 P22455 4/20 0.39
▸ PDE5A O76074 2/20 0.39
▸ PDE1A P54750 2/20 0.39
▸ PDE1B Q01064 2/20 0.39
▸ PDE3B Q13370 2/20 0.39
▸ PDE1C Q14123 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ PTGER1 P34995 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ YTHDC1 Q96MU7 1/20 0.38
▸ HDAC1 Q13547 2/20 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
SCHEMBL24540240 0.77 TDP1 (0.42) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL21078678 0.77 ADORA2A (0.46) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL24075522 0.74 HDAC1 (0.39) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL23120978 0.73 CNR2 (0.33) SLC29A1FGFR1FGFR4
SCHEMBL23120979 0.73 CNR2 (0.33) SLC29A1FGFR1FGFR4
SCHEMBL24075549 0.72 SLC29A1 (0.37) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL24075523 0.71 DOT1L (0.35) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL12379187 0.71 YTHDC1 (0.54) SLC29A1YTHDC1
SCHEMBL24075634 0.71 DOT1L (0.37) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL28948817 0.71 SLC29A1 (0.35) SLC29A1PDE4APDE4BPDE4CPDE4D

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-4013756-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS Novartis AG (CH) 2022-06-22 — — EP disclosed
Send feedback