SCHEMBL9571750

SCHEMBL9571750

CCN(CCn1cnc2c(N)ncnc21)OC

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.65
▸ ADORA1 P30542 4/20 0.65
▸ ADORA2B P29275 1/20 0.65
▸ PI4KA P42356 2/20 0.60
▸ PI4K2B Q8TCG2 2/20 0.60
▸ PI4K2A Q9BTU6 2/20 0.60
▸ PI4KB Q9UBF8 2/20 0.60
▸ NSD3 Q9BZ95 5/20 0.56
▸ ADCY5 O95622 1/20 0.54
▸ LMNA P02545 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ NSD2 O96028 4/20 0.50

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
SCHEMBL9204975 0.86 ADORA2A (0.64) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Hydrochloric Acid SCHEMBL10339774 0.85 ADORA2A (0.62) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4811419 0.83 ADORA2A (0.72) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL7134825 0.80 ADORA2A (0.63) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL233405 0.79 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL29387721 0.79 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11222112 0.79 ADORA2A (0.80) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL7165319 0.79 NSD3 (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Water SCHEMBL27886802 0.78 ADORA2A (0.97) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL1074972 0.77 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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
JP-5294967-A — — None — — JP disclosed
JP-H05294967-A NEW ADENINE DERIVATIVE MITSUBISHI GAS CHEM CO INC 1993-11-09 — — JP disclosed
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