SCHEMBL7510790

SCHEMBL7510790

CCCCNc1nc(Sc2ccc(C(F)(F)F)cc2)nc2c1nnn2[C@@H]1C[C@H](C(=O)O)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 15/20 0.53
▸ USP28 Q96RU2 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 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
SCHEMBL7514177 0.93 P2RY12 (0.47) P2RY12USP28TLR8TLR7
SCHEMBL7509882 0.87 P2RY12 (0.70) P2RY12
SCHEMBL7509891 0.87 P2RY12 (0.70) P2RY12
SCHEMBL7515643 0.84 P2RY12 (0.73) P2RY12USP28
SCHEMBL7509278 0.83 P2RY12 (0.53) P2RY12TLR8TLR7
SCHEMBL7507158 0.83 P2RY12 (0.72) P2RY12
SCHEMBL7509281 0.83 P2RY12 (0.53) P2RY12TLR8TLR7
SCHEMBL7507169 0.83 P2RY12 (0.72) P2RY12
SCHEMBL7506622 0.81 P2RY12 (0.59) P2RY12
SCHEMBL7506625 0.81 P2RY12 (0.59) P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0890119-A4 PHOTOCHROMIC NAPHTHOPYRAN COMPOSITIONS OF NEUTRAL COLOR TRANSITIONS OPTICAL INC (US) 2002-07-17 — — EP disclosed
EP-0946561-B1 TRIAZOLO(4,5-D)PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2002-02-13 — — EP disclosed
US-6297232-B1 TREATMENT OF PLATELET AGGREGATION DISORDERS. ASTRAZENECA AB (SE) 2001-10-02 — — US disclosed
EP-0890119-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOSITIONS OF NEUTRAL COLOR TRANSITIONS OPTICAL, INC. (US) 1999-01-13 — — EP disclosed
WO-1997037254-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOSITIONS OF NEUTRAL COLOR TRANSITIONS OPTICAL, INC. (US) 1997-10-09 — — WO disclosed
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