SCHEMBL28070619

SCHEMBL28070619

CC(C)(C)NC(=O)OC1CCCN(c2ccncc2N)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 15/20 0.42
PIM3 Q86V86 12/20 0.42
PIM1 P11309 8/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
NTMT1 Q9BV86 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL28070601 1.00 PIM2 (0.42) PIM2PIM3PIM1KDM4EALDH1A1
SCHEMBL28070539 0.86 MAPT (0.45) ALDH1A1GAANTMT1MAPT
SCHEMBL15874967 0.84 PIM2 (0.44) PIM2PIM3PIM1KDM4EALDH1A1
SCHEMBL15874969 0.84 PIM2 (0.44) PIM2PIM3PIM1KDM4EALDH1A1
SCHEMBL13719758 0.84 CDK8 (0.40) PIM2PIM3PIM1NTMT1
SCHEMBL13719598 0.83 CDK8 (0.40) PIM2PIM3PIM1NTMT1
SCHEMBL13822630 0.82 CDK8 (0.39) NTMT1
SCHEMBL13719741 0.82 CDK8 (0.39) NTMT1
SCHEMBL31302348 0.82 KDM4E (0.40) PIM2PIM3PIM1KDM4EALDH1A1
SCHEMBL31302417 0.82 KDM4E (0.40) PIM2PIM3PIM1KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105658653-A Furo- and thieno-pyridine carboxamide compounds useful as PIM kinase inhibitors 因赛特公司 2016-06-08 CN disclosed