Sugi Predict

Sugi Predict / Compounds / SCHEMBL1796217

SCHEMBL1796217

SCHEMBL1796217

Cc1cc(-c2cccnc2)cc(C(=O)Nc2csc(C)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 7/20 0.47
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GRM5 P41594 3/20 0.42

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
SCHEMBL1798244 0.83 GRM5 (0.60) NPC1RAB9AKDM4EMAPTGRM5
SCHEMBL1795189 0.83 GRM5 (0.60) GRM5
SCHEMBL1797163 0.82 CYP1A2 (0.46) GRM5
SCHEMBL1792734 0.81 GRM5 (0.48) IRAK4KDM4EMAPTGRM5
SCHEMBL1796498 0.81 TLR7 (0.43) KDM4EMAPTGRM5
SCHEMBL1793909 0.81 KMT2A (0.53) MAPTGRM5
SCHEMBL1794792 0.81 GRM5 (0.50) GRM5
SCHEMBL1794079 0.81 GRM5 (0.47) KDM4EGRM5
SCHEMBL1796064 0.81 MEN1 (0.47) NPC1RAB9AMAPK1GRM5
SCHEMBL1794476 0.81 GRM5 (0.44) GRM5

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-7951824-B2 4-aryl-pyridine-2-carboxyamide derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-31 — — US claimed
US-7951824-B2 4-aryl-pyridine-2-carboxyamide derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-31 — — US disclosed