SCHEMBL9584828

SCHEMBL9584828

CNc1ncnc2c1ncn2C(OCCCO)OC(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 4/20 0.40
▸ CDK1 P06493 4/20 0.40
▸ CCNB1 P14635 4/20 0.40
▸ CCNB3 Q8WWL7 4/20 0.40
▸ P2RY1 P47900 2/20 0.39
▸ YTHDC1 Q96MU7 2/20 0.39
▸ AHCY P23526 4/20 0.38
▸ ADORA3 P0DMS8 5/20 0.38
▸ ADORA1 P30542 4/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36

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
SCHEMBL9583194 0.81 YTHDC1 (0.47) CCNB2CDK1CCNB1CCNB3P2RY1
SCHEMBL10814378 0.79 CCNB2 (0.43) CCNB2CDK1CCNB1CCNB3P2RY1
SCHEMBL9583290 0.78 CDK5 (0.42) CCNB2CDK1CCNB1CCNB3P2RY1
SCHEMBL9583879 0.77 ADORA2A (0.48) AHCYADORA1ADORA2AADORA2BPDE4A
SCHEMBL9584502 0.76 CDK1 (0.49) CCNB2CDK1CCNB1CCNB3AHCY
SCHEMBL9583411 0.75 YTHDC1 (0.46) P2RY1YTHDC1ADORA3ADORA1ADORA2A
SCHEMBL10816683 0.72 ADORA3 (0.40) CCNB2CDK1CCNB1CCNB3P2RY1
SCHEMBL756298 0.69 YTHDC1 (0.62) CCNB2CDK1CCNB1CCNB3YTHDC1
SCHEMBL10813829 0.69 ADORA2A (0.45) AHCYADORA1ADORA2AADORA2BPDE4A
SCHEMBL9584833 0.68 P2RY1 (0.49) P2RY1YTHDC1AHCYADORA3ADORA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250535-A Herpes virus; nontoxic; side effect reduction; humans and veterinary medicine SYNTEX INC. (US) 1993-10-05 — — US disclosed
US-4803271-A Process for preparing guanine derivatives SYNTEX (U.S.A.) INC. (US) 1989-02-07 — — US disclosed
US-4612314-A Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl) purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1986-09-16 — — US disclosed
EP-0085424-A2 Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl)purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1983-08-10 — — EP disclosed
Send feedback