SCHEMBL21782906

SCHEMBL21782906

Bc1cc2cc(-c3ccccc3)ccc2cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.51
MAP4K4 O95819 2/20 0.51
MINK1 Q8N4C8 2/20 0.51
TYK2 P29597 1/20 0.51
SRPK1 Q96SB4 1/20 0.51
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
DYRK3 O43781 2/20 0.43
CLK2 P49760 2/20 0.43
GSK3B P49841 2/20 0.43
CDK5 Q00535 2/20 0.43
DYRK1A Q13627 2/20 0.43
BACE1 P56817 1/20 0.43
FGFR1 P11362 1/20 0.43
CLK1 P49759 1/20 0.43
CLK3 P49761 1/20 0.43
CDK5R1 Q15078 1/20 0.43
DYRK2 Q92630 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
CYP11B1 P15538 2/20 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
SCHEMBL23705771 0.78 CLK4 (0.51) CLK4MAP4K4MINK1TYK2SRPK1
SCHEMBL21767440 0.78 CLK4 (0.51) CLK4MAP4K4MINK1TYK2SRPK1
SCHEMBL12779137 0.78 CYP1A2 (0.54) NPC1RAB9AATMKDM4E
SCHEMBL27511439 0.75 ESR1 (0.74) CLK4ESR1ESR2DYRK3CLK2
SCHEMBL5362363 0.74 ESR1 (0.52) CLK4MAP4K4MINK1TYK2SRPK1
SCHEMBL30097003 0.74 CLK4 (0.48) CLK4MAP4K4MINK1TYK2SRPK1
SCHEMBL23706186 0.74 CLK4 (0.48) CLK4MAP4K4MINK1TYK2SRPK1
SCHEMBL23706013 0.74 CLK4 (0.51) CLK4MAP4K4MINK1TYK2SRPK1
SCHEMBL29249325 0.74 MAP4K4 (0.62) CLK4MAP4K4MINK1TYK2SRPK1
SCHEMBL30041189 0.74 CLK4 (0.51) CLK4MAP4K4MINK1TYK2SRPK1

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
EP-3617216-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2021-12-01 EP disclosed
EP-3617216-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-03-04 EP disclosed