SCHEMBL10102052

SCHEMBL10102052

CNc1nc(Nc2ccc(NC(=O)C(C)(C)C)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
AR P10275 1/20 0.32
MAP2K1 Q02750 6/20 0.31
BRD4 O60885 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
MALT1 Q9UDY8 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
SCHEMBL10102026 0.92 MAP2K1 (0.36) NPC1RAB9AMAP2K1SMN1; SMN2PDE4B
SCHEMBL10102001 0.88 CSNK2A1 (0.35) NPC1RAB9ASMN1; SMN2
SCHEMBL10102012 0.88 CDK2 (0.35) NPC1RAB9AMAP2K1SMN1; SMN2PDE4B
SCHEMBL10102105 0.87 ALDH1A1 (0.38) MAP2K1
SCHEMBL10102041 0.87 ALDH1A1 (0.38) MAP2K1
SCHEMBL10102014 0.87 MAPT (0.37) MAP2K1TRPV1PDE4BPDE4D
SCHEMBL10101976 0.86 CDK4 (0.35) NPC1RAB9AMAP2K1SMN1; SMN2
SCHEMBL10102018 0.86 ALDH1A1 (0.31) NPC1RAB9ASMN1; SMN2
SCHEMBL10101989 0.85 HPGD (0.44) NPC1RAB9AMAP2K1SMN1; SMN2
SCHEMBL10101974 0.85 KDM4E (0.41) MAP2K1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206465-B2 Azo pigments, pigment dispersion, coloring composition, and ink for inkjet recording FUJIFILM CORPORATION (JP) 2012-06-26 US disclosed
US-20110011306-A1 AZO PIGMENTS, PIGMENT DISPERSION, COLORING COMPOSITION, AND INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-01-20 US disclosed