SCHEMBL28494240

SCHEMBL28494240

c1ccc(-c2ccccc2Nc2cccc3ccc4c5ccccc5[nH]c4c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.48
CDK4 P11802 5/20 0.47
CCND1 P24385 5/20 0.47
CDC25B P30305 1/20 0.45
PARP14 Q460N5 11/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43

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
SCHEMBL22189181 0.86 PARP14 (0.51) KIF11CDC25BPARP14
SCHEMBL30022189 0.86 PARP14 (0.51) KIF11CDC25BPARP14
SCHEMBL25302324 0.85 KIF11 (0.57) KIF11CDK4CCND1PARP14GABRP
SCHEMBL29177751 0.80 KIF11 (0.46) KIF11CDC25BPARP14BCHE
SCHEMBL29177985 0.80 KIF11 (0.46) KIF11CDK4CCND1CDC25BPARP14
Biphenyl SCHEMBL29177843 0.79 PARP14 (0.47) KIF11CDC25BPARP14GABRPGABRD
SCHEMBL30302765 0.79 PARP14 (0.47) KIF11CDC25BPARP14GABRPGABRD
SCHEMBL29170881 0.79 KIF11 (0.47) KIF11CDK4CCND1PARP14GABRP
SCHEMBL29199250 0.78 KIF11 (0.49) KIF11CDK4CCND1PARP14GABRP
SCHEMBL28795757 0.77 PARP14 (0.49) CDK4CCND1PARP14

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-107428639-B Double-spiro compound and organic light-emitting element comprising same 株式会社LG化学 2020-10-30 CN claimed
CN-108137525-B Heterocyclic compound and organic light emitting diode including the same 株式会社LG化学 2021-12-28 CN disclosed
CN-107428639-B Double-spiro compound and organic light-emitting element comprising same 株式会社LG化学 2020-10-30 CN disclosed