SCHEMBL21348733

SCHEMBL21348733

O=P(O)(O)CP(=O)(O)OCCCCn1cnc2c(NCc3ccccc3)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMIGD3 P0DMS9 3/20 0.58
▸ ADORA2A P29274 3/20 0.58
▸ ADORA1 P30542 3/20 0.58
▸ NT5E P21589 5/20 0.57
▸ RAB9A P51151 2/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ NPC1 O15118 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CDK1 P06493 2/20 0.51
▸ DNPH1 O43598 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ ENPP1 P22413 1/20 0.46
▸ CCNB2 O95067 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CCNB3 Q8WWL7 1/20 0.46
▸ HTT P42858 1/20 0.45

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
SCHEMBL19100815 0.80 RAB9A (0.57) TMIGD3ADORA2AADORA1NT5ERAB9A
SCHEMBL19100489 0.78 CDK1 (0.61) TMIGD3ADORA2AADORA1NT5ERAB9A
SCHEMBL29539043 0.78 CDK1 (0.61) TMIGD3ADORA2AADORA1NT5ERAB9A
SCHEMBL28068467 0.76 TMIGD3 (0.77) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL27734468 0.74 TMIGD3 (1.00) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL458946 0.74 TMIGD3 (0.77) TMIGD3ADORA2AADORA1RAB9AKMT2A
SCHEMBL23431307 0.73 NT5E (1.00) NT5EDNPH1TDP1ENPP1
SCHEMBL29393691 0.73 NT5E (1.00) NT5EDNPH1TDP1ENPP1
SCHEMBL21450235 0.73 NT5E (0.54) TMIGD3ADORA2AADORA1NT5ERAB9A
SCHEMBL27967736 0.73 RAB9A (0.70) TMIGD3ADORA2AADORA1RAB9AKMT2A

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
WO-2019173682-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS ARCUS BIOSCIENCES, INC. (US) 2019-09-12 — — WO disclosed
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