SCHEMBL4783515

SCHEMBL4783515

Cc1csc(-c2nnn[nH]2)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.32
TDP2 O95551 2/20 0.32
KDM5B Q9UGL1 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
SCHEMBL2881603 0.70 KDM5B (0.33) TDP2KDM5B
SCHEMBL9773308 0.70 DAO (0.44) CHEK1TDP2KDM5B
SCHEMBL4730858 0.69 NPC1 (0.42)
SCHEMBL16936588 0.69 ESR1 (0.33)
SCHEMBL6741105 0.68 NOTUM (0.36)
SCHEMBL24573403 0.67 ALDH1A1 (0.41)
SCHEMBL13628736 0.67 NPSR1 (0.33)
SCHEMBL13525162 0.66 ALDH1A1 (0.41)
SCHEMBL22846550 0.66
SCHEMBL1849836 0.65 POLB (0.44)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008031888-A2 CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS CAMPIANI GIUSEPPE (IT) 2008-03-20 WO claimed
WO-2008031888-A2 CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS CAMPIANI GIUSEPPE (IT) 2008-03-20 WO disclosed
US-6555563-B1 Compounds based on 2-aryl-5-(imidazol-2-yl)-1,3,4-thiadiazole or the corresponding 1,3,4-oxadiazole; selective COX-2 (cyclooxygenase-2) inhibitors; side effect reduction MEDINOX, INC. 2003-04-29 US disclosed
US-5310918-A 1-aryl-substituted azole, non-linear optical material and novel molecular crystal containing same and method and module for the conversion of light wavelength using same FUJI PHOTO FILM CO., LTD. (JP) 1994-05-10 US disclosed