SCHEMBL2727225

SCHEMBL2727225

NCC1CCN(c2c(F)cccc2NC(=O)c2csc(-c3cncc(C(=O)O)c3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 19/20 0.47
▸ PIM3 Q86V86 14/20 0.47
▸ PIM2 Q9P1W9 14/20 0.47

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
SCHEMBL2726075 0.89 CHEK1 (0.54) PIM1PIM3PIM2
SCHEMBL2732684 0.87 PIM1 (0.47) PIM1PIM3PIM2
SCHEMBL2728519 0.85 PIM1 (0.49) PIM1PIM3PIM2
SCHEMBL2727132 0.85 PIM1 (0.46) PIM1PIM3PIM2
SCHEMBL2728704 0.83 CHEK1 (0.56) PIM1PIM3PIM2
SCHEMBL2733103 0.82 PIM1 (0.49) PIM1PIM3PIM2
SCHEMBL2734426 0.81 PIM1 (0.48) PIM1PIM3PIM2
SCHEMBL2726245 0.81 PIM1 (0.46) PIM1PIM3PIM2
SCHEMBL2726248 0.79 PIM1 (0.46) PIM1PIM3PIM2
SCHEMBL15053306 0.79 PIM1 (0.46) PIM1PIM3PIM2

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
EP-2632462-A1 NOVEL HETEROARYL-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-09-04 — — EP claimed
WO-2012058176-A1 NOVEL HETEROARYL-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS SCHERING CORPORATION (US) 2012-05-03 — — WO claimed
Send feedback