SCHEMBL8970074

SCHEMBL8970074

Cc1cccc(CC(=O)N2CCCN(c3cccc(C(=O)c4cc(Br)cnc4N)n3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 13/20 0.48
POLB P06746 1/20 0.48
PRKCA P17252 2/20 0.44
PRKCD Q05655 2/20 0.44
GBA1 P04062 1/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.38

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
SCHEMBL8969853 0.93 KDM4E (0.49) PRKCQPOLBPRKCAPRKCDGBA1
SCHEMBL8970084 0.92 PRKCQ (0.49) PRKCQPRKCAPRKCDGBA1KDM4E
SCHEMBL9008256 0.91 PRKCQ (0.47) PRKCQPRKCAPRKCDGBA1KDM4E
SCHEMBL8969861 0.88 PRKCQ (0.64) PRKCQPOLBPRKCAPRKCDKDM4E
SCHEMBL13857181 0.84 KDM4E (0.51) PRKCQPOLBPRKCAPRKCDGBA1
SCHEMBL8970034 0.84 PRKCQ (0.49) PRKCQPRKCAPRKCDKDM4ESMN1; SMN2
SCHEMBL1481470 0.83 PRKCQ (0.49) PRKCQPRKCAPRKCDKDM4ESMN1; SMN2
SCHEMBL8969876 0.82 PRKCQ (0.53) PRKCQPRKCAPRKCD
SCHEMBL8969884 0.82 PRKCQ (0.53) PRKCQPRKCAPRKCDKDM4ESMN1; SMN2
SCHEMBL9010401 0.82 PRKCQ (0.53) PRKCQPRKCAPRKCDKDM4ESMN1; SMN2

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