SCHEMBL17277173

SCHEMBL17277173

CC(C)C[C@]1(O)CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CC[C@H]1N

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 17/20 0.44
▸ PRKCD Q05655 12/20 0.44
▸ PRKCA P17252 4/20 0.41
▸ MAPT P10636 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ PKLR P30613 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
SCHEMBL17277172 1.00 PRKCQ (0.44) PRKCQPRKCDPRKCAMAPTTLR9
SCHEMBL9882314 0.91 PRKCQ (0.44) PRKCQPRKCDPRKCAMAPTTLR9
SCHEMBL15273721 0.91 PRKCQ (0.44) PRKCQPRKCDPRKCAMAPT
SCHEMBL15273738 0.91 PRKCQ (0.44) PRKCQPRKCDPRKCAMAPT
SCHEMBL9882145 0.90 PRKCQ (0.43) PRKCQPRKCDPRKCAMAPTTLR9
SCHEMBL9882144 0.90 PRKCQ (0.43) PRKCQPRKCDPRKCAMAPTTLR9
SCHEMBL17277171 0.90 PRKCQ (0.43) PRKCQPRKCDPRKCAMAPTTLR9
SCHEMBL9882239 0.89 PRKCQ (0.43) PRKCQPRKCDPRKCAMAPT
SCHEMBL9882326 0.88 PRKCQ (0.42) PRKCQPRKCDPRKCAMAPTTLR9
SCHEMBL9882151 0.84 PRKCQ (0.44) PRKCQPRKCDPRKCAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193722-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-24 — — US disclosed
US-9193722-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-24 — — US disclosed
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