SCHEMBL18697867

SCHEMBL18697867

C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1c1cnc2c(I)ncnn12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.32
▸ ADORA3 P0DMS8 2/20 0.31
▸ ADK P55263 2/20 0.30
▸ DOT1L Q8TEK3 1/20 0.30
▸ DCLK1 O15075 1/20 0.30
▸ DAPK3 O43293 1/20 0.30
▸ DYRK3 O43781 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ ROS1 P08922 1/20 0.30
▸ RPS6KB1 P23443 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ CSNK1A1 P48729 1/20 0.30
▸ CSNK1D P48730 1/20 0.30
▸ CLK2 P49760 1/20 0.30
▸ IRAK1 P51617 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ MELK Q14680 1/20 0.30
▸ NTRK3 Q16288 1/20 0.30

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
SCHEMBL10148585 0.89 ADORA2A (0.32) ADORA2A
SCHEMBL881381 0.88 ADORA2A (0.40) ADORA2AADORA3ADKDOT1L
SCHEMBL10149698 0.88 ADORA2A (0.40) ADORA2AADORA3ADKDOT1L
SCHEMBL19229288 0.76 ADORA2A (0.35) ADORA2AADORA3ADKDOT1LDCLK1
SCHEMBL19229334 0.76 ADORA2A (0.35) ADORA2AADORA3ADKDOT1LDCLK1
SCHEMBL15682919 0.76 ADORA2A (0.41) ADORA2AADORA3ADKDOT1L
SCHEMBL882508 0.76 ADORA2A (0.35) ADORA2AADORA3ADK
SCHEMBL10186054 0.76 ADORA2A (0.35) ADORA2AADORA3ADK
SCHEMBL881487 0.75 ADORA2A (0.38) ADORA2AADORA3ADKDOT1L
SCHEMBL10148675 0.75 PDE4D (0.33) ADORA2A

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
EP-3150608-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2017-04-05 — — EP disclosed
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