SCHEMBL8970034

SCHEMBL8970034

CC(F)(F)CC(=O)N1CCCN(c2cccc(C(=O)c3cc(Br)cnc3N)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 16/20 0.49
PRKCA P17252 3/20 0.43
PRKCD Q05655 3/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GFER P55789 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1481470 0.93 PRKCQ (0.49) PRKCQPRKCAPRKCDALDH1A1KDM4E
SCHEMBL8970210 0.89 PRKCQ (0.49) PRKCQPRKCAPRKCDHRH4
SCHEMBL8969884 0.87 PRKCQ (0.53) PRKCQPRKCAPRKCDALDH1A1KDM4E
SCHEMBL8970084 0.85 PRKCQ (0.49) PRKCQPRKCAPRKCDALDH1A1KDM4E
SCHEMBL13857201 0.85 PRKCQ (0.42) PRKCQPRKCAPRKCDALDH1A1KDM4E
SCHEMBL1481538 0.85 CKS1B (0.52) PRKCQPRKCAPRKCD
SCHEMBL8970168 0.85 PRKCQ (0.49) PRKCQPRKCAPRKCD
SCHEMBL8969853 0.84 KDM4E (0.49) PRKCQPRKCAPRKCDALDH1A1KDM4E
SCHEMBL8970074 0.84 PRKCQ (0.48) PRKCQPRKCAPRKCDALDH1A1KDM4E
SCHEMBL9010401 0.84 PRKCQ (0.53) PRKCQPRKCAPRKCDALDH1A1KDM4E

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