SCHEMBL14236366

SCHEMBL14236366

Clc1cc(-c2ccccc2)nc(I)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
HSP90AA1 P07900 1/20 0.61
HSP90AB1 P08238 1/20 0.61
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
ADORA1 P30542 3/20 0.45
ADORA2A P29274 2/20 0.45
LMNA P02545 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 1/20 0.41
AGTR1 P30556 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL25323 0.85 MEN1 (0.60) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL19417179 0.81 MEN1 (0.56) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL10076067 0.81 MEN1 (0.74) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL413907 0.79 MEN1 (0.79) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL423874 0.79 KDM4E (0.66) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL18544154 0.79 MIF (0.53) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL7381830 0.76 MEN1 (0.73) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL17412405 0.76 KDM4E (0.61) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL602093 0.76 KDM4E (0.61) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL21310211 0.76 MEN1 (0.50) KDM4EMEN1KMT2AALDH1A1HPGD

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-2532667-A1 Deazapurines useful as inhibitors of janus kinases Vertex Pharmaceuticals Incorporated (US) 2012-12-12 EP disclosed