SCHEMBL8335722

SCHEMBL8335722

CCCn1cnc2c(N)nc(OCP(=O)(O)O)nc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.51
▸ SLC22A6 Q4U2R8 1/20 0.51
▸ ADORA2A P29274 5/20 0.49
▸ ADORA1 P30542 4/20 0.49
▸ ADORA2B P29275 2/20 0.49
▸ TMIGD3 P0DMS9 3/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CDK1 P06493 2/20 0.44
▸ CCNB1 P14635 2/20 0.44
▸ CCNE1 P24864 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HPRT1 P00492 6/20 0.42
▸ PNP P00491 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
SCHEMBL2154971 0.90 CDK1 (0.56) FGFR1SLC22A6ADORA2AADORA1ADORA2B
SCHEMBL28476413 0.80 ADORA2A (0.57) ADORA2AADORA1ADORA2BTMIGD3CYP3A4
SCHEMBL1377647 0.74 CDK1 (0.76) ADORA2AADORA1ADORA2BTMIGD3CYP3A4
Pmedap SCHEMBL215611 0.74 FGFR1 (0.72) FGFR1SLC22A6CYP3A4CDK1CCNB1
Pmedap SCHEMBL29571667 0.74 FGFR1 (0.72) FGFR1SLC22A6CYP3A4CDK1CCNB1
SCHEMBL5162224 0.74 ADORA2A (0.64) ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL19553577 0.73 ADORA2A (0.51) ADORA2AADORA1ADORA2BTMIGD3CDK1
SCHEMBL5161193 0.73 ADORA2A (0.67) ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL232387 0.73 ADORA2A (0.62) ADORA2AADORA1ADORA2BTMIGD3CYP3A4
SCHEMBL28420439 0.73 FGFR1 (0.59) FGFR1SLC22A6CYP3A4HPRT1PNP

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-5935946-A TENOFOVIR DISOPROXIL FUMARATE; ANTIVIRAL THERAPY GILEAD SCIENCES, INC. (US) 1999-08-10 — — US disclosed
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