SCHEMBL2731104

SCHEMBL2731104

NCCn1cc(-c2nc(C(=O)Nc3cc(N)ccc3N3CCCC(N)C3)cs2)cn1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 17/20 0.57
▸ PIM1 P11309 16/20 0.57
▸ PIM3 Q86V86 14/20 0.57

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
SCHEMBL2731109 1.00 PIM2 (0.57) PIM2PIM1PIM3
SCHEMBL15052339 0.92 PIM2 (0.55) PIM2PIM1PIM3
SCHEMBL15052337 0.92 PIM2 (0.55) PIM2PIM1PIM3
SCHEMBL2725378 0.92 PIM2 (0.58) PIM2PIM1PIM3
SCHEMBL2725383 0.92 PIM2 (0.58) PIM2PIM1PIM3
SCHEMBL15052003 0.91 PIM2 (0.62) PIM2PIM1PIM3
SCHEMBL15052005 0.91 PIM2 (0.62) PIM2PIM1PIM3
SCHEMBL797560 0.91 PIM2 (0.65) PIM2PIM1PIM3
SCHEMBL797559 0.91 PIM2 (0.65) PIM2PIM1PIM3
SCHEMBL797433 0.91 PIM2 (0.54) PIM2PIM1PIM3

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