Sugi Predict

Sugi Predict / Compounds / SCHEMBL15909658

SCHEMBL15909658

SCHEMBL15909658

CC1(C)c2cc(-c3ccc(N(c4ccc(C#N)cc4)c4cccc5ccccc45)cc3)cc3ccc4cc(-c5ccc6c(c5)sc5ccccc56)cc1c4c23

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.32
▸ HRH3 Q9Y5N1 3/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ PRSS12 P56730 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
SCHEMBL15909663 0.91 PTGDR2 (0.34) LIMK1HRH3PRSS12
SCHEMBL15909669 0.89 LIMK1 (0.34) LIMK1
SCHEMBL15909674 0.89 HRH3 (0.37) HRH3PDPK1
SCHEMBL15909634 0.87 CA1 (0.34) HRH3PDPK1
SCHEMBL15909667 0.87 CA1 (0.34) HRH3PDPK1
SCHEMBL15909653 0.84 PGR (0.36) HRH3PDPK1
SCHEMBL15909631 0.84 HRH3 (0.33) HRH3PDPK1
SCHEMBL15909641 0.84 LIMK1 (0.32) LIMK1HRH3
SCHEMBL15909672 0.82 PDK2 (0.36) HRH3
SCHEMBL15909816 0.82 PDK2 (0.41) HRH3PDPK1

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-20140209872-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 — — US disclosed
US-20140209872-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 — — US disclosed