SCHEMBL9049380

SCHEMBL9049380

Nc1nc2c(c3c1ncn3Cc1ccccc1)CCCC2.c1ccc(CN(Cc2ccccc2)c2nc3c(c4c2ncn4Cc2ccccc2)CCCC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ ADORA2A P29274 2/20 0.39
▸ PI4KA P42356 1/20 0.39
▸ PI4K2B Q8TCG2 1/20 0.39
▸ PI4K2A Q9BTU6 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LMNA P02545 3/20 0.36
▸ PNP P00491 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35

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
SCHEMBL8128831 0.94 LMNA (0.39) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8113707 0.89 PDE4D (0.47) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8114007 0.79 ADORA2A (0.49) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9048835 0.74 TLR7 (0.39) PDE4DADORA2AALDH1A1HSD17B10KDM4E
SCHEMBL9050816 0.72 TLR7 (0.44) PDE4DADORA2AHSD17B10LMNASMN1; SMN2
SCHEMBL8114300 0.71 CSNK2A2 (0.43) PDE4DADORA2AALDH1A1HSD17B10KDM4E
SCHEMBL14516487 0.70 ALDH1A1 (0.38) ADORA2AALDH1A1KDM4EHPGDBCHE
SCHEMBL8124044 0.70 HSD17B10 (0.44) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL2059204 0.69 TLR7 (0.53) PDE4DADORA2AALDH1A1KDM4EHPGD
SCHEMBL8120835 0.68 TSHR (0.39) ALDH1A1HSD17B10KDM4EHPGDLMNA

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-0708773-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-01 — — EP disclosed
WO-1995002598-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 — — WO disclosed
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