SCHEMBL17758843

SCHEMBL17758843

COCC(COP(=O)(S)OC)OCn1cnc2c(N)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 2/20 0.48
▸ NT5E P21589 1/20 0.47
▸ CYP3A4 P08684 7/20 0.47
▸ ADORA2A P29274 5/20 0.44
▸ ADORA1 P30542 4/20 0.44
▸ FGFR1 P11362 2/20 0.44
▸ SLC22A6 Q4U2R8 2/20 0.44
▸ CYP2D6 P10635 6/20 0.44
▸ PI4KA P42356 1/20 0.43
▸ PI4K2B Q8TCG2 1/20 0.43
▸ PI4K2A Q9BTU6 1/20 0.43
▸ PI4KB Q9UBF8 1/20 0.43
▸ NSD3 Q9BZ95 1/20 0.43
▸ ABCB11 O95342 1/20 0.42
▸ POLA1 P09884 1/20 0.42
▸ POLG P54098 1/20 0.42
▸ FAP Q12884 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ AHCY P23526 1/20 0.41

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
SCHEMBL17758901 0.81 BLM (0.63) CYP3A4POLG
SCHEMBL10601866 0.79 ENPP1 (0.53) ENPP1NT5ECYP3A4ADORA2AADORA1
SCHEMBL10813839 0.78 ADORA2A (0.50) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL22193337 0.78 FGFR1 (0.57) ENPP1CYP3A4ADORA2AADORA1FGFR1
SCHEMBL8846475 0.77 ADORA2A (0.56) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL10818140 0.76 ADORA2A (0.50) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL30292318 0.75 ADORA2A (0.64) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL4093935 0.75 ADORA2A (0.64) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL20930041 0.75 AHCY (0.54) ENPP1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL18715785 0.74 CYP3A4 (0.61) CYP3A4FGFR1SLC22A6CYP2D6

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
US-20160138029-A1 ANTISENSE-OLIGONUCLEOTIDES AS INHIBITORS OF TGF-R SIGNALING Neurovision Pharma GmbH (DE) 2016-05-19 — — US disclosed
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