SCHEMBL469895

SCHEMBL469895

CN1CCO[C@@H](CNc2cc(Cl)nn3c(I)cnc23)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.43
IRAK4 Q9NWZ3 1/20 0.40
KDR P35968 4/20 0.36
EPHA2 P29317 3/20 0.36
EPHB4 P54760 2/20 0.36
EGFR P00533 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DRD4 P21917 2/20 0.35
MALT1 Q9UDY8 1/20 0.34
PDE10A Q9Y233 1/20 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
SCHEMBL457647 1.00 ERN1 (0.43) ERN1IRAK4KDREPHA2EPHB4
SCHEMBL456990 0.83 TNF (0.46) ERN1
SCHEMBL470155 0.83 TNF (0.46) ERN1
SCHEMBL457022 0.83 TNF (0.46) ERN1
SCHEMBL10279248 0.82 SCN5A (0.42) ERN1
SCHEMBL456397 0.82 TNF (0.43) ERN1
SCHEMBL455915 0.82 SCN5A (0.42) ERN1
SCHEMBL10279502 0.77 ERN1 (0.51) ERN1
SCHEMBL17416379 0.74 TTK (0.61) ERN1
SCHEMBL457790 0.74 TTK (0.61) ERN1

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
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed