SCHEMBL13914432

SCHEMBL13914432

N#Cc1c(N)nc(SCC(=O)c2cccc(Cl)c2)c(C#N)c1-c1cccc(Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 7/20 0.80
▸ ABL1 P00519 2/20 0.63
▸ ALK Q9UM73 2/20 0.63
▸ SIRT1 Q96EB6 1/20 0.62
▸ NPSR1 Q6W5P4 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ ADORA1 P30542 8/20 0.57
▸ ADORA2A P29274 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.56
▸ ELAVL1 Q15717 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ PPARG P37231 1/20 0.52
▸ NCOA2 Q15596 1/20 0.52
▸ NCOA1 Q15788 1/20 0.52

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
SCHEMBL13914453 0.96 RET (0.74) RETABL1ALKSIRT1NPSR1
SCHEMBL13913651 0.95 RET (0.73) RETABL1ALKSIRT1NPSR1
SCHEMBL13914428 0.93 RET (0.71) RETABL1ALKSIRT1NPSR1
SCHEMBL13914414 0.93 RET (0.72) RETABL1ALKSIRT1NPSR1
SCHEMBL13914433 0.92 RET (0.69) RETABL1ALKSIRT1NPSR1
SCHEMBL13914420 0.91 RET (0.68) RETABL1ALKSIRT1NPSR1
SCHEMBL13914434 0.91 RET (0.69) RETABL1ALKSIRT1NPSR1
SCHEMBL13914431 0.91 RET (0.69) RETABL1ALKSIRT1NPSR1
SCHEMBL13914424 0.91 RET (0.68) RETABL1ALKSIRT1NPSR1
SCHEMBL13914741 0.90 RET (0.75) RETABL1ALKSIRT1NPSR1

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
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