SCHEMBL8969935

SCHEMBL8969935

COC(=O)N1CCCN(c2cccc(C(=O)c3cc(C)cnc3N)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 15/20 0.54
PRKCA P17252 2/20 0.47
PRKCD Q05655 2/20 0.47
SMO Q99835 2/20 0.43
HRH3 Q9Y5N1 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
MAP4K1 Q92918 1/20 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
SCHEMBL1479331 0.90 CKS1B (0.53) PRKCQPRKCAPRKCDCKS1BSKP1
SCHEMBL9010401 0.90 PRKCQ (0.53) PRKCQPRKCAPRKCDHRH3CKS1B
SCHEMBL8970237 0.86 PRKCQ (0.58) PRKCQPRKCAPRKCD
SCHEMBL8969522 0.86 PRKCQ (0.73) PRKCQPRKCAPRKCD
SCHEMBL16071357 0.83 PRKCQ (0.53) PRKCQPRKCAPRKCD
SCHEMBL8970038 0.81 PRKCQ (0.56) PRKCQPRKCAPRKCD
SCHEMBL13857182 0.81 PRKCQ (0.45) PRKCQPRKCAPRKCDSMOHRH3
SCHEMBL8969924 0.81 CKS1B (0.51) PRKCQPRKCAPRKCDCKS1BSKP1
SCHEMBL8185355 0.81 PRKCQ (0.71) PRKCQPRKCAPRKCD
SCHEMBL11993695 0.81 PRKCQ (0.52) PRKCQPRKCAPRKCDHRH3

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-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed