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SCHEMBL17640340

SCHEMBL17640340

CC1(C)c2ccccc2-c2ccc(-c3ccc4sc5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cc(-c6ccccc6)cc5c4c3)cc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.34
▸ PIM3 Q86V86 3/20 0.33
▸ PIM1 P11309 3/20 0.33
▸ PIM2 Q9P1W9 2/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ PDK2 Q15119 3/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ MAP3K8 P41279 2/20 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
SCHEMBL17640364 0.92 ALOX5 (0.40) LIMK1PIM3PIM1PIM2ROCK1
SCHEMBL17640472 0.92 ALOX5 (0.40) LIMK1PIM3PIM1PIM2ROCK1
SCHEMBL17640350 0.90 ALOX5 (0.33) LIMK1PDK2ALOX5
SCHEMBL17640458 0.90 ALOX5 (0.33) LIMK1PDK2ALOX5
SCHEMBL17640465 0.90 ALOX5 (0.33) LIMK1PDK2ALOX5
SCHEMBL17640362 0.90 ROCK1 (0.35) LIMK1PIM3ROCK1PDK2
SCHEMBL17640366 0.89 LIMK1 (0.33) LIMK1PDK2ALOX5
SCHEMBL18904414 0.88 ALOX5 (0.43) LIMK1PDK2ALOX5MAP3K8
SCHEMBL17425600 0.88 ALOX5 (0.39) LIMK1PIM3PIM1PIM2ROCK1
SCHEMBL24129708 0.87 LIMK1 (0.35) LIMK1PIM3PIM1PIM2ROCK1

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-20170054087-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-02-23 — — US disclosed
US-20160093808-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-03-31 — — US disclosed