SCHEMBL20172382

SCHEMBL20172382

Nc1cccc2sc3ncccc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 5/20 0.44
CLK1 P49759 2/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
HPGD P15428 4/20 0.38
HSP90AA1 P07900 3/20 0.37
HSP90AB1 P08238 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL20256469 0.87 LIMK1 (0.43) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL29506384 0.87 LIMK1 (0.43) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL16919878 0.81 LIMK1 (0.42) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL24055865 0.79 CYP1A2 (0.40) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL21237827 0.76 HRH1 (0.36) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL17489955 0.75 LIMK1 (0.54) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL20172145 0.75 LIMK1 (0.47) LIMK1CLK1HPGDHSP90AA1HSP90AB1
SCHEMBL3378060 0.74 GPR3 (0.54) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL3292566 0.74 GPR3 (0.54) LIMK1IKBKBHPGDMEN1KMT2A
SCHEMBL30376713 0.74 GPR3 (0.54) LIMK1CLK1IKBKBCHUKCDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339395-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-02 EP disclosed
EP-3339395-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2018-06-27 EP disclosed
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 EP disclosed