SCHEMBL2728078

SCHEMBL2728078

CNC1(C(N)=O)CCN(c2ccc(N)cc2NC(=O)c2csc(-c3cncnc3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 0.56
▸ PIM1 P11309 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ PIM2 Q9P1W9 1/20 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
SCHEMBL2727017 0.92 CHEK1 (0.46) CHEK1
SCHEMBL2727353 0.91 CHEK1 (0.46) CHEK1
SCHEMBL14328723 0.91 CHEK1 (0.69) CHEK1
SCHEMBL2732556 0.88 CHEK1 (0.59) CHEK1
SCHEMBL2729777 0.88 CHEK1 (0.46) CHEK1
SCHEMBL2727624 0.85 CHEK1 (0.44) CHEK1
SCHEMBL2732167 0.84 CHEK1 (0.42) CHEK1
SCHEMBL14328725 0.84 CHEK1 (0.59) CHEK1
SCHEMBL14206465 0.83 CHEK1 (0.57) CHEK1
SCHEMBL14328713 0.83 CHEK1 (0.70) CHEK1PIM1PIM3PIM2

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
EP-2632263-A1 NOVEL THIAZOLE-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-09-04 — — EP claimed
WO-2012058174-A1 NOVEL THIAZOLE-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS SCHERING CORPORATION (US) 2012-05-03 — — WO claimed
EP-2632263-A1 NOVEL THIAZOLE-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-09-04 — — EP disclosed
WO-2012058174-A1 NOVEL THIAZOLE-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS SCHERING CORPORATION (US) 2012-05-03 — — WO disclosed
Send feedback