SCHEMBL15430259

SCHEMBL15430259

c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5ccc6c(c5)c5ccccc5c5nccn65)c4)cccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.39
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
ALOX5 P09917 1/20 0.35
TACR1 P25103 2/20 0.34
TDO2 P48775 1/20 0.33
MAP2K1 Q02750 2/20 0.32
CHEK1 O14757 1/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32
PRKACA P17612 1/20 0.32
KDR P35968 1/20 0.32
CDK8 P49336 1/20 0.32
ACVR1 Q04771 1/20 0.32
MAP4K2 Q12851 1/20 0.32
ROCK1 Q13464 1/20 0.32
DYRK1A Q13627 1/20 0.32
AURKB Q96GD4 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
PIK3CA P42336 1/20 0.31

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
SCHEMBL15430270 0.92 CLK4 (0.34) LIMK1ALOX5TACR1TDO2CDK8
SCHEMBL15405596 0.91 ALOX5 (0.46) LIMK1CCNE1CDK2ALOX5TACR1
SCHEMBL15405088 0.91 ALOX5 (0.46) LIMK1CCNE1CDK2ALOX5TACR1
SCHEMBL15430264 0.91 CCNE1 (0.34) LIMK1CCNE1CDK2TACR1MAP2K1
SCHEMBL15430225 0.90 ALOX5 (0.43) LIMK1CCNE1CDK2ALOX5TACR1
SCHEMBL15430222 0.90 ALOX5 (0.46) LIMK1CCNE1CDK2ALOX5TACR1
SCHEMBL15430228 0.89 ALOX5 (0.46) LIMK1CCNE1CDK2ALOX5TACR1
SCHEMBL15430276 0.89 ALOX5 (0.33) LIMK1ALOX5TACR1
SCHEMBL15430283 0.89 ALOX5 (0.44) LIMK1CCNE1CDK2ALOX5TACR1
SCHEMBL15430227 0.88 ALOX5 (0.47) LIMK1CCNE1CDK2ALOX5TACR1

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