SCHEMBL15430264

SCHEMBL15430264

c1ccc(-c2cc(-c3ccccc3)c3sc4c(-c5cccc(-c6ccc7c(c6)c6ccccc6c6nccn76)c5)cc(-c5ccccc5)cc4c3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
TACR1 P25103 2/20 0.33
LIMK1 P53667 2/20 0.33
PIK3CA P42336 1/20 0.32
MAP3K8 P41279 2/20 0.32
MAP2K1 Q02750 2/20 0.31
MAPK1 P28482 1/20 0.31
CHEK1 O14757 1/20 0.30
MAP4K4 O95819 1/20 0.30
CSF1R P07333 1/20 0.30
PRKACA P17612 1/20 0.30
KDR P35968 1/20 0.30
CDK8 P49336 1/20 0.30
ACVR1 Q04771 1/20 0.30
MAP4K2 Q12851 1/20 0.30
ROCK1 Q13464 1/20 0.30
DYRK1A Q13627 1/20 0.30
AURKB Q96GD4 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL15430260 0.93 LIMK1 (0.37) CCNE1CDK2TACR1LIMK1MAP3K8
SCHEMBL15430259 0.91 LIMK1 (0.39) CCNE1CDK2TACR1LIMK1PIK3CA
SCHEMBL15430341 0.85 CCNE1 (0.34) CCNE1CDK2TACR1PIK3CAMAP2K1
SCHEMBL15430273 0.85
SCHEMBL15430225 0.84 ALOX5 (0.43) CCNE1CDK2TACR1LIMK1PIK3CA
SCHEMBL15430222 0.84 ALOX5 (0.46) CCNE1CDK2TACR1LIMK1PIK3CA
SCHEMBL13309571 0.84 TACR1 (0.41) CCNE1CDK2TACR1PIK3CAMAP2K1
SCHEMBL15430270 0.83 CLK4 (0.34) TACR1LIMK1CDK8ROCK1
SCHEMBL15405596 0.83 ALOX5 (0.46) CCNE1CDK2TACR1LIMK1PIK3CA
SCHEMBL15405088 0.83 ALOX5 (0.46) CCNE1CDK2TACR1LIMK1PIK3CA

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
US-20140014930-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-01-16 US disclosed
US-20140014930-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-01-16 US disclosed