SCHEMBL27844260

SCHEMBL27844260

Brc1ccc(C#Cc2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 2/20 0.42
▸ IDO1 P14902 2/20 0.42
▸ KIF11 P52732 4/20 0.41
▸ PARP14 Q460N5 9/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NR1I3 Q14994 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CCNE2 O96020 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ EIF2AK2 P19525 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CAMK2B Q13554 1/20 0.40

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
SCHEMBL28380167 0.93 KIF11 (0.47) TDO2KIF11PARP14CDK4CCND1
SCHEMBL30463516 0.91 KIF11 (0.49) TDO2IDO1KIF11PARP14MAPT
SCHEMBL28261376 0.91 KIF11 (0.49) TDO2IDO1KIF11PARP14MAPT
SCHEMBL788300 0.91 KIF11 (0.49) TDO2IDO1KIF11PARP14MAPT
SCHEMBL2781496 0.84 IDO1 (0.48) TDO2IDO1KIF11PARP14MAPT
SCHEMBL38828 0.83 KIF11 (0.57) TDO2KIF11PARP14CDK4CCND1
SCHEMBL30641449 0.83 KIF11 (0.57) TDO2KIF11PARP14CDK4CCND1
SCHEMBL29407801 0.83 KIF11 (0.57) TDO2KIF11PARP14CDK4CCND1
SCHEMBL208888 0.83 KIF11 (0.57) TDO2KIF11PARP14CDK4CCND1
SCHEMBL1326376 0.83 KIF11 (0.57) TDO2KIF11PARP14CDK4CCND1

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-102241698-B Star-shaped triaryl borane compound and preparation method and application thereof CHINESE ACAD TECH INST PHYSICS 2013-12-25 — — CN disclosed
CN-102241698-A Star-shaped triaryl borane compound and preparation method and application thereof CHINESE ACAD TECH INST PHYSICS 2011-11-16 — — CN disclosed
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