SCHEMBL19644596

SCHEMBL19644596

O=C(Nc1ncnc2c([C@@H]3OC(CO)(CO)[C@@H](O)[C@H]3F)csc12)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ HCAR3 P49019 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ NT5C2 P49902 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ SCD O00767 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32

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
SCHEMBL17465425 0.91 BRD4 (0.34) BRD4PDPK1HCAR3CSF1RNT5C2
SCHEMBL17465406 0.88 PDPK1 (0.33) BRD4PDPK1HCAR3CSF1RNPSR1
SCHEMBL17465419 0.88 PDPK1 (0.33) BRD4PDPK1HCAR3CSF1RNPSR1
SCHEMBL17465423 0.87 TMPRSS2 (0.34) BRD4PDPK1HCAR3CSF1RNT5C2
SCHEMBL17465398 0.85 BRD4 (0.34) BRD4PDPK1HCAR3NT5C2NPSR1
SCHEMBL21837309 0.85 GPR119 (0.32) BRD4PDPK1CSF1RAURKARPS6KB1
SCHEMBL17465429 0.83 PDPK1 (0.33) BRD4PDPK1HCAR3CSF1RNT5C2
SCHEMBL21837302 0.82 GPR119 (0.31) —
SCHEMBL17479346 0.81 LGALS9 (0.38) BRD4PDPK1ADORA3ADORA2AADORA1
SCHEMBL17465396 0.81 LGALS9 (0.38) BRD4PDPK1ADORA3ADORA2AADORA1

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-9828388-B2 Thieno[3,2-d]pyrimidine, furo[3,2-d]pyrimidine, and pyrrolo[3,2-D]pyrimidines useful for treating respiratory syncitial virus infections GILEAD SCIENCES, INC. (US) 2017-11-28 — — US disclosed
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