SCHEMBL4215656

SCHEMBL4215656

N#Cc1c[nH]nc1-c1ccccc1.[Ir]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.49
CHUK O15111 1/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
TSHR P16473 1/20 0.44
KDM5A P29375 6/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.41
MCL1 Q07820 2/20 0.41
KDM6B O15054 1/20 0.41
KDM5C P41229 1/20 0.41
KDM5D Q9BY66 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
SCHEMBL4219751 0.98 ERBB2 (0.50) ERBB2CHUKADORA2AADORA1TSHR
SCHEMBL22004673 0.80 ERBB2 (0.53) ERBB2KDM5AALDH1A1KDM4ELMNA
SCHEMBL28241531 0.80 ERBB2 (0.53) ERBB2ADORA2AADORA1KDM5AMCL1
SCHEMBL19897377 0.74 KDM5A (0.43) KDM5AALDH1A1KDM4E
SCHEMBL11937878 0.74 LRRK2 (0.46) ADORA2AADORA1ALDH1A1
SCHEMBL4282428 0.74 MAOB (0.46) ERBB2ADORA1TSHRGRM5
SCHEMBL8884581 0.74 LRRK2 (0.47) ALDH1A1KDM4EHPGD
SCHEMBL29024294 0.74 VCAM1 (0.43) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL23719266 0.73 ERBB2 (0.43) ERBB2CHUKADORA2AADORA1KDM5A
SCHEMBL15756593 0.73 POLB (0.42) ERBB2ALDH1A1KDM4EMEN1KMT2A

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
JP-2009227602-A CYANOPHENYLPYRAZOLE IRIDIUM COMPLEX, LUMINESCENT MATERIAL CONSISTING OF THE SAME AND ORGANIC EL ELEMENT CONTAINING THE SAME CHEMIPROKASEI KAISHA LTD 2009-10-08 JP disclosed