SCHEMBL21709342

SCHEMBL21709342

c1ccc(-c2ccc3c(c2)[nH]c2cc4ccccc4cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.53
CDK4 P11802 2/20 0.53
CCND1 P24385 2/20 0.53
FEN1 P39748 1/20 0.49
JAK2 O60674 1/20 0.47
AHR P35869 1/20 0.47
FGFR1 P11362 1/20 0.44
GPR17 Q13304 1/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
IMPDH2 P12268 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
RAB9A P51151 1/20 0.41
PTGES O14684 1/20 0.41
GRIN2D O15399 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
SCHEMBL29533133 0.90 TNKS2 (0.61) TNKS2CDK4CCND1FEN1JAK2
SCHEMBL533285 0.90 TNKS2 (0.61) TNKS2CDK4CCND1FEN1JAK2
SCHEMBL16068096 0.89 CDK4 (0.45) TNKS2CDK4CCND1FEN1JAK2
SCHEMBL16067843 0.89 CDK4 (0.45) TNKS2CDK4CCND1FEN1JAK2
SCHEMBL23155062 0.89 CDK4 (0.54) TNKS2CDK4CCND1FEN1JAK2
SCHEMBL16310851 0.89 AHR (0.63) AHRKDM4EMEN1MAPTKMT2A
SCHEMBL16068095 0.88 ESR1 (0.46) TNKS2CDK4CCND1FEN1JAK2
SCHEMBL16067832 0.87 CDK4 (0.44) TNKS2CDK4CCND1FEN1JAK2
SCHEMBL15990082 0.86 TNKS2 (0.54) TNKS2CDK4CCND1FEN1JAK2
SCHEMBL30715261 0.86 TNKS2 (0.54) TNKS2CDK4CCND1FEN1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240215277-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2024-06-27 US disclosed
WO-2021230651-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-11-18 WO disclosed
WO-2021060865-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-04-01 WO disclosed
WO-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed
WO-2020032447-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed