SCHEMBL4677288

SCHEMBL4677288

Clc1ccc2ncn(C3CCNCC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.53
IRAK4 Q9NWZ3 2/20 0.50
IDO1 P14902 7/20 0.44
KCNH2 Q12809 5/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
PRPS1 P60891 1/20 0.42
PRMT5 O14744 2/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL4671267 0.90 IRAK4 (0.51) PRKCIIRAK4JAK2JAK1PRPS1
SCHEMBL30610095 0.90 IRAK4 (0.51) PRKCIIRAK4JAK2JAK1PRPS1
Piperazine SCHEMBL28324587 0.88 IRAK4 (0.50) PRKCIIRAK4IDO1JAK2JAK1
SCHEMBL18474192 0.86 HSD17B10 (0.47) IDO1KCNH2PRPS1CYP2C9
SCHEMBL4677284 0.84 IDO1 (0.45) PRKCIIRAK4IDO1KCNH2PRPS1
SCHEMBL15833600 0.82 PRKCI (0.53) PRKCIIRAK4JAK2JAK1PRMT5
SCHEMBL15825750 0.82 PRKCI (0.53) PRKCIJAK2JAK1PRMT5
SCHEMBL4753958 0.82 PRKCI (0.53) PRKCIIDO1KCNH2JAK2JAK1
SCHEMBL1868695 0.82 DDB1 (0.55) PRKCIJAK2JAK1PRMT5KDM5B
SCHEMBL18787932 0.79 PRKCI (0.50) PRKCIIRAK4IDO1JAK2JAK1

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-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed