SCHEMBL13913729

SCHEMBL13913729

N#Cc1c(N)nc(SCC(=O)c2ccccc2)c(C#N)c1-c1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 7/20 0.68
▸ ADORA1 P30542 4/20 0.68
▸ ABL1 P00519 2/20 0.68
▸ ALK Q9UM73 2/20 0.68
▸ ADORA2A P29274 1/20 0.68
▸ MAPT P10636 6/20 0.67
▸ ALDH1A1 P00352 5/20 0.67
▸ MEN1 O00255 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ KDM4E B2RXH2 3/20 0.67
▸ HPGD P15428 2/20 0.67
▸ HIF1A Q16665 2/20 0.67
▸ POLB P06746 1/20 0.67
▸ STAT6 P42226 1/20 0.67
▸ GALR3 O60755 1/20 0.61
▸ CASP1 P29466 1/20 0.58
▸ CASP7 P55210 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ RECQL P46063 1/20 0.54
▸ SIRT1 Q96EB6 1/20 0.53

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
SCHEMBL13914788 0.93 MAPT (0.63) RETADORA1ABL1ALKADORA2A
SCHEMBL13913731 0.92 ALDH1A1 (0.62) RETADORA1ABL1ALKADORA2A
SCHEMBL13914783 0.92 RET (0.67) RETADORA1ABL1ALKADORA2A
SCHEMBL13914789 0.90 MAPT (0.60) RETADORA1ABL1ALKADORA2A
SCHEMBL13914785 0.89 RET (0.68) RETADORA1ABL1ALKADORA2A
SCHEMBL13914805 0.89 RET (0.68) RETADORA1ABL1ALKADORA2A
SCHEMBL13914793 0.89 MAPT (0.59) RETADORA1ABL1ALKADORA2A
SCHEMBL13914825 0.89 MAPT (0.61) RETADORA1ABL1ALKADORA2A
SCHEMBL13914806 0.88 ALDH1A1 (0.68) RETADORA1ABL1ALKADORA2A
SCHEMBL13913723 0.88 ALDH1A1 (0.71) RETADORA1ABL1ALKADORA2A

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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