SCHEMBL13914718

SCHEMBL13914718

Cc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3ccc(C)cc3)c2C#N)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 6/20 0.81
▸ ALDH1A1 P00352 6/20 0.72
▸ HSD17B10 Q99714 5/20 0.72
▸ HPGD P15428 3/20 0.72
▸ MAPK1 P28482 2/20 0.72
▸ ALOX15 P16050 2/20 0.72
▸ SIRT1 Q96EB6 1/20 0.69
▸ ADORA1 P30542 3/20 0.68
▸ ABL1 P00519 2/20 0.66
▸ ALK Q9UM73 2/20 0.66
▸ KDM4E B2RXH2 5/20 0.66
▸ NPSR1 Q6W5P4 3/20 0.66
▸ HTT P42858 1/20 0.66
▸ MEN1 O00255 4/20 0.65
▸ KMT2A Q03164 4/20 0.65
▸ MAPT P10636 3/20 0.65
▸ NPC1 O15118 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ CASP1 P29466 1/20 0.65
▸ RAB9A P51151 1/20 0.65

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
SCHEMBL13914742 0.96 RET (0.75) RETALDH1A1HSD17B10HPGDMAPK1
SCHEMBL13914548 0.96 RET (0.75) RETALDH1A1HSD17B10HPGDMAPK1
SCHEMBL13914714 0.95 RET (0.74) RETALDH1A1HSD17B10HPGDMAPK1
SCHEMBL13914488 0.95 RET (0.76) RETALDH1A1HSD17B10HPGDMAPK1
SCHEMBL13914732 0.94 RET (0.72) RETALDH1A1HSD17B10HPGDMAPK1
SCHEMBL13914728 0.93 RET (0.76) RETALDH1A1HSD17B10HPGDMAPK1
SCHEMBL13914756 0.92 RET (0.75) RETALDH1A1HSD17B10HPGDMAPK1
SCHEMBL13914759 0.91 RET (0.69) RETALDH1A1HSD17B10HPGDMAPK1
SCHEMBL13914750 0.91 RET (0.69) RETALDH1A1HSD17B10HPGDMAPK1
SCHEMBL13914725 0.91 RET (0.69) RETALDH1A1HSD17B10HPGDMAPK1

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-7504421-B2 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-17 — — US disclosed
US-7504421-B2 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-17 — — US disclosed
Send feedback