SCHEMBL17277166

SCHEMBL17277166

NC1CN(C2CCN(c3ccc(C(F)(F)F)c(-c4n[nH]c5ncccc45)n3)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 7/20 0.43
▸ PRKCD Q05655 2/20 0.43
▸ PRKCA P17252 5/20 0.41
▸ FLT3 P36888 3/20 0.41
▸ GSK3B P49841 3/20 0.41
▸ HTR2B P41595 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ PIM1 P11309 9/20 0.39
▸ RET P07949 1/20 0.36

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
SCHEMBL9882073 0.91 PRKCQ (0.48) PRKCQPRKCDPRKCAFLT3GSK3B
SCHEMBL9882262 0.89 PARP1 (0.42) PRKCQPRKCDPRKCAFLT3GSK3B
SCHEMBL9882072 0.89 PRKCQ (0.47) PRKCQPRKCDPRKCAFLT3GSK3B
SCHEMBL9882081 0.89 PRKCQ (0.45) PRKCQPRKCDPRKCAFLT3GSK3B
SCHEMBL9882069 0.85 PIM1 (0.51) PRKCQPRKCDPRKCAFLT3GSK3B
SCHEMBL9882074 0.84 MAPT (0.49) PRKCQPRKCDPRKCAFLT3GSK3B
SCHEMBL9882298 0.83 PRKCQ (0.43) PRKCQPRKCDPRKCAFLT3GSK3B
SCHEMBL9883356 0.83 PRKCQ (0.42) PRKCQPRKCDPRKCAFLT3GSK3B
SCHEMBL9882292 0.83 PIM1 (0.47) PRKCQPRKCDPRKCAFLT3GSK3B
SCHEMBL9882297 0.83 PIM1 (0.47) PRKCQPRKCDPRKCAFLT3GSK3B

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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