SCHEMBL8970422

SCHEMBL8970422

Cc1ccc(C(=O)c2cccnc2N)nc1N1CCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 19/20 0.56
PRKCA P17252 4/20 0.53
PRKCD Q05655 4/20 0.53
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL11993705 1.00 PRKCQ (0.56) PRKCQPRKCAPRKCDMEN1CYP1A2
SCHEMBL8965670 0.89 PRKCQ (0.70) PRKCQPRKCAPRKCD
SCHEMBL8965751 0.89 PRKCQ (0.67) PRKCQPRKCAPRKCD
SCHEMBL8970446 0.86 PRKCQ (0.53) PRKCQPRKCAPRKCD
SCHEMBL11993698 0.80 PRKCQ (0.79) PRKCQPRKCAPRKCD
SCHEMBL11993703 0.79 PRKCQ (0.56) PRKCQPRKCAPRKCD
SCHEMBL8970504 0.79 PRKCQ (0.56) PRKCQPRKCAPRKCD
SCHEMBL8970209 0.78 PRKCQ (0.62) PRKCQPRKCAPRKCD
SCHEMBL8965800 0.76 PRKCQ (0.70) PRKCQPRKCAPRKCD
SCHEMBL8970165 0.72 PRKCQ (1.00) PRKCQPRKCAPRKCD

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