SCHEMBL10316692

SCHEMBL10316692

N#CN(C(=N)Oc1ccccc1)c1ccc(N2CCN(C3CC4CCC3C4)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 3/20 0.41
AXL P30530 5/20 0.40
KDR P35968 4/20 0.37
SLC18A3 Q16572 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.32
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL15329344 0.82 SIGMAR1 (0.43) KDM4ESLC18A3ALDH1A1MAPT
SCHEMBL4993845 0.75 KMT2A (0.51) KMT2APKMKDM4EAXLKDR
SCHEMBL4993854 0.75 KMT2A (0.51) KMT2APKMKDM4EAXLKDR
SCHEMBL11315406 0.75 KDM4E (0.57) KMT2APKMKDM4EAXLKDR
SCHEMBL17166950 0.75 KDM4E (0.57) KMT2APKMKDM4EAXLKDR
SCHEMBL13698447 0.75 KDM4E (0.57) KMT2APKMKDM4EAXLKDR
SCHEMBL4989928 0.74 KMT2A (0.44) KMT2APKMKDM4EAXLKDR
SCHEMBL14090626 0.74 KMT2A (0.44) KMT2APKMKDM4EAXLKDR
SCHEMBL11321364 0.74 KMT2A (0.44) KMT2APKMKDM4EAXLKDR
SCHEMBL15759153 0.68 KMT2A (0.56) KMT2APKMKDM4EAXLKDR

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
EP-2476679-A2 Substituted triazoles useful as AXL inhibitors Rigel Pharmaceuticals, Inc. (US) 2012-07-18 EP disclosed