SCHEMBL5420532

SCHEMBL5420532

CCNc1c(N)cnn1CCCN(C)C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.31
BPTF Q12830 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
TLR8 Q9NR97 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL14445295 0.91 CNR1 (0.33) BPTF
SCHEMBL5418831 0.86 CYP2C9 (0.35) RPS6KA5BPTF
SCHEMBL14445301 0.85 RPS6KA5 (0.32) RPS6KA5CYP2D6
SCHEMBL14445306 0.85 KDM4E (0.37) BPTFCYP1A2
SCHEMBL14445310 0.82 JAK2 (0.33) BPTFCYP1A2
SCHEMBL14445308 0.82 ALDH1A1 (0.34) BPTFTLR8
SCHEMBL5438004 0.82
SCHEMBL5403246 0.81 POLB (0.35) CYP1A2
SCHEMBL5405663 0.79 MERTK (0.34)
SCHEMBL14445362 0.79 ALDH1A1 (0.33) PDE4APDE4BPDE4CPDE4DCYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed