SCHEMBL28068098

SCHEMBL28068098

COc1ccc(-c2ncc(C)nc2C)cc1.[Ir]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.53
DYRK1A Q13627 1/20 0.49
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
SYK P43405 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PTGS2 P35354 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL3212419 0.98 JAK3 (0.54) JAK3DYRK1AKMT2AALDH1A1HPGD
SCHEMBL29476058 0.97 JAK3 (0.53) JAK3DYRK1AKMT2AALDH1A1HPGD
SCHEMBL10508434 0.86 ALDH1A1 (0.51) DYRK1AKMT2AALDH1A1HPGDNPSR1
SCHEMBL11375323 0.81 KMT2A (0.54) DYRK1AKMT2AALDH1A1HPGDNPSR1
SCHEMBL3419221 0.81 JAK3 (0.50) JAK3DYRK1AALDH1A1NPSR1KDM4E
SCHEMBL2120831 0.80 JAK3 (0.50) JAK3NPC1RAB9A
SCHEMBL3415089 0.79 JAK3 (0.53) JAK3DYRK1AALDH1A1HPGDKDM4E
SCHEMBL31032716 0.78 JAK3 (0.54) JAK3KMT2AALDH1A1HPGDNPSR1
SCHEMBL28313697 0.78 JAK3 (0.54) JAK3KMT2AALDH1A1HPGDNPSR1
SCHEMBL27825747 0.78 JAK3 (0.54) JAK3KMT2AALDH1A1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083835-A Heterocyclic compound, light-emitting component, luminescent device, electronic device and illuminating device 株式会社半导体能源研究所 2016-11-09 CN disclosed
CN-102190653-B Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2016-07-13 CN disclosed