SCHEMBL17277168

SCHEMBL17277168

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

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 12/20 0.44
▸ PRKCD Q05655 10/20 0.44
▸ PRKCA P17252 3/20 0.44
▸ PIM1 P11309 1/20 0.42
▸ SMO Q99835 7/20 0.40

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
SCHEMBL17277167 1.00 PRKCQ (0.44) PRKCQPRKCDPRKCAPIM1SMO
SCHEMBL17277170 0.90 PRKCQ (0.52) PRKCQPRKCDPRKCAPIM1
SCHEMBL17277169 0.90 PRKCQ (0.52) PRKCQPRKCDPRKCAPIM1
SCHEMBL9882031 0.87 PRKCQ (0.47) PRKCQPRKCDPRKCAPIM1
SCHEMBL15273584 0.87 PRKCQ (0.47) PRKCQPRKCDPRKCAPIM1
SCHEMBL9882083 0.87 PRKCQ (0.47) PRKCQPRKCDPRKCAPIM1
SCHEMBL15273585 0.87 PRKCQ (0.47) PRKCQPRKCDPRKCAPIM1
SCHEMBL9882089 0.87 PRKCQ (0.47) PRKCQPRKCDPRKCAPIM1
SCHEMBL9882029 0.87 PRKCQ (0.47) PRKCQPRKCDPRKCAPIM1
SCHEMBL15273630 0.86 PRKCQ (0.49) PRKCQPRKCDPIM1

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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