Sugi Predict

Sugi Predict / Compounds / SCHEMBL23893249

SCHEMBL23893249

SCHEMBL23893249

CC1C=c2sc3cc(-c4ccccc4)ccc3c2=CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.36
▸ PIM3 Q86V86 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ CCR2 P41597 1/20 0.32
▸ F9 P00740 3/20 0.31
▸ PIK3CG P48736 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
SCHEMBL22919955 0.69 LIMK1 (0.36) LIMK1F9
SCHEMBL12562737 0.68 LIMK1 (0.51) LIMK1PIM3PIK3CAPI4KAPI4KB
SCHEMBL10110898 0.68 LIMK1 (0.51) LIMK1PIM3PIK3CAPI4KAPI4KB
SCHEMBL21101592 0.68 CLK1 (0.32) PIM3
SCHEMBL22268487 0.65 LIMK1 (0.49) LIMK1PIM3PIK3CAPI4KAPI4KB
SCHEMBL23555984 0.65 LIMK1 (0.57) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL22375204 0.65 LIMK1 (0.49) LIMK1PIM3PIK3CAPI4KAPI4KB
SCHEMBL18329359 0.65 LIMK1 (0.49) LIMK1PIM3PIK3CAPI4KAPI4KB
SCHEMBL23555670 0.65 LIMK1 (0.57) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL18470285 0.65 LIMK1 (0.57) LIMK1PIK3CAPI4KAPI4KBF9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3770166-B1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2021-10-06 — — EP disclosed