SCHEMBL15546218

SCHEMBL15546218

CC1C[C@@H](c2ccncc2N)CC(NC(=O)O)C1C#N

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PIM3 Q86V86 16/20 0.42
▸ PIM1 P11309 15/20 0.42
▸ PIM2 Q9P1W9 15/20 0.42
▸ MAP4K1 Q92918 3/20 0.34

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
SCHEMBL15546221 1.00 PIM3 (0.42) PIM3PIM1PIM2MAP4K1
SCHEMBL15589070 0.88 PIM1 (0.40) PIM3PIM1PIM2
SCHEMBL16587828 0.83 PIM3 (0.41) PIM3PIM1PIM2
SCHEMBL15818304 0.81 PIM1 (0.45) PIM3PIM1PIM2
SCHEMBL17272982 0.81 PIM1 (0.45) PIM3PIM1PIM2
SCHEMBL15818305 0.81 PIM1 (0.45) PIM3PIM1PIM2
SCHEMBL17272981 0.81 PIM1 (0.45) PIM3PIM1PIM2
SCHEMBL16698700 0.81 PIM2 (0.51) PIM3PIM1PIM2
SCHEMBL16698701 0.81 PIM2 (0.51) PIM3PIM1PIM2
SCHEMBL15817952 0.79 PIM1 (0.44) PIM3PIM1PIM2

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-2874987-A1 alpha-AND gamma-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF The Research Foundation Of State University Of New York (US) 2015-05-27 — — EP disclosed
EP-2861585-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS Novartis AG (CH) 2015-04-22 — — EP disclosed
WO-2014015276-A1 α-AND γ-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2014-01-23 — — WO disclosed
WO-2013175388-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-11-28 — — WO disclosed
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