SCHEMBL2193265

SCHEMBL2193265

Clc1cccnc1Nc1ccc(Oc2ccccc2)cc1.OCCNc1cccc(Nc2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.42
STK17A Q9UEE5 1/20 0.42
KDR P35968 1/20 0.41
SCN9A Q15858 1/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2176931 0.86 SCN9A (0.50) STK17BSTK17ASCN9AGAAKMT2A
SCHEMBL2175197 0.79 SCN9A (0.51) STK17BSTK17AKDRSCN9AGAA
SCHEMBL8287302 0.74 AURKA (0.51) STK17BSTK17ASCN9AKMT2A
SCHEMBL2175149 0.72 ALDH1A1 (0.58) GAAKMT2A
SCHEMBL2177484 0.72 EGFR (0.57) KDRSCN9AGAAKMT2A
SCHEMBL2174904 0.71 HTR7 (0.46) SCN9AGAAKMT2A
SCHEMBL4667374 0.71 FCGR3B (0.50) SCN9AGAAKMT2A
SCHEMBL2484181 0.70
SCHEMBL2175962 0.69 SCN9A (0.60) KDRSCN9AGAAKMT2A
SCHEMBL3846786 0.69 KDM4E (0.47) GAAKMT2A

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-2519501-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS Technische Universität Wien (AT) 2012-11-07 EP disclosed
WO-2011079343-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES TECHNISCHE UNIVERSITAET WIEN (AT) 2011-07-07 WO disclosed