SCHEMBL28089606

SCHEMBL28089606

Cc1cc(C)cc(-c2nccnc2N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CG P48736 1/20 0.38
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37
TDO2 P48775 1/20 0.36
NOS3 P29474 7/20 0.35
NOS2 P35228 7/20 0.35
NOS1 P29475 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RPS6KA5 O75582 1/20 0.33
KDR P35968 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL28089607 0.88 ADORA1 (0.39) LMNAALDH1A1TSHRADORA2AADORA1
SCHEMBL15051818 0.84 LMNA (0.48) LMNAALDH1A1TSHRADORA2AADORA1
SCHEMBL16652085 0.75 ADORA2A (0.52) LMNAALDH1A1TSHRADORA2AADORA1
SCHEMBL28853673 0.74 VRK1 (0.34) PIK3CDPIK3R1PIK3CGMAPK1
SCHEMBL28855953 0.71 FYN (0.53) TSHRPIK3CDPIK3CGKDM4EKDR
SCHEMBL23143466 0.68 LMNA (0.46) LMNAALDH1A1TSHRADORA2AADORA1
SCHEMBL2680563 0.68 MAPK1 (0.51) LMNAALDH1A1TSHRADORA2AADORA1
SCHEMBL15604777 0.68 TP53 (0.38) LMNA
SCHEMBL28235663 0.68 CYP2A6 (0.58) ALDH1A1ADORA2AADORA1NOS3NOS2
SCHEMBL20522450 0.66 KDM4E (0.49) ALDH1A1TSHRADORA1PIK3CDPIK3CG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109021022-A Luminous diaza benzo imidazole carbene metal complex UDC 爱尔兰有限责任公司 2018-12-18 CN disclosed
CN-105431442-B Luminescent Diazabenzimidazole Carbene Metal Complexes UDC 爱尔兰有限责任公司 2018-08-07 CN disclosed
CN-105764911-A Luminescent diaza-, monoaza-and benzo-imidazole metal carbene complexes for use in electronic devices such as OLEDs 巴斯夫欧洲公司 2016-07-13 CN disclosed