SCHEMBL10076911

SCHEMBL10076911

CC(CN)Nc1nc(Nc2cccc3ncccc23)c(C(N)=O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.46
▸ SYK P43405 9/20 0.45
▸ HTT P42858 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TNIK Q9UKE5 1/20 0.39
▸ NR3C1 P04150 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL14909676 0.89 SYK (0.45) PDE4BSYKHTTMAPTMEN1
SCHEMBL14909675 0.89 SYK (0.45) PDE4BSYKHTTMAPTMEN1
SCHEMBL20473551 0.88 PDE4B (0.46) PDE4BSYKHTTMAPTMEN1
SCHEMBL14909803 0.88 PDE4B (0.46) PDE4BSYKHTTMAPTMEN1
SCHEMBL14909754 0.88 PDE4B (0.46) PDE4BSYKHTTMAPTMEN1
SCHEMBL5027993 0.86 SYK (0.50) PDE4BSYKHTTMAPTMEN1
SCHEMBL9106928 0.86 SYK (0.50) PDE4BSYKHTTMAPTMEN1
SCHEMBL14909666 0.85 SYK (0.42) PDE4BSYKHTTMAPTMEN1
SCHEMBL14909118 0.85 PDE4B (0.48) PDE4BSYKHTTMAPTCYP1A2
SCHEMBL16164337 0.83 SYK (0.48) PDE4BSYKHTTMAPTMEN1

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
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 — — WO disclosed
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