SCHEMBL23027008

SCHEMBL23027008

Ic1nc(I)c2sc3ccccc3c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44
▸ TNKS O95271 2/20 0.40
▸ TNKS2 Q9H2K2 2/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ KRAS P01116 1/20 0.40
▸ GPR3 P46089 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.40
▸ MAPT P10636 4/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ EGFR P00533 3/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTR2C P28335 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
SCHEMBL19413003 0.80 TNKS (0.40) LIMK1CDK5CDK5R1TNKSTNKS2
SCHEMBL25016499 0.79 TNKS (0.45) LIMK1CDK5CDK5R1TNKSTNKS2
SCHEMBL24813632 0.77 ALOX5 (0.43) LIMK1CDK5CDK5R1TNKSTNKS2
SCHEMBL20457808 0.71 GPR3 (0.45) LIMK1CDK5CDK5R1TNKSTNKS2
SCHEMBL15766397 0.69 LIMK1 (0.45) LIMK1CDK5CDK5R1TNKSTNKS2
SCHEMBL15766144 0.69 LIMK1 (0.45) LIMK1CDK5CDK5R1TNKSTNKS2
SCHEMBL25837401 0.68 ALOX5 (0.47) LIMK1CDK5CDK5R1KRASGPR3
SCHEMBL29519419 0.68 LIMK1 (0.51) LIMK1CDK5CDK5R1KRASGPR3
SCHEMBL16685432 0.68 LIMK1 (0.51) LIMK1CDK5CDK5R1KRASGPR3
SCHEMBL16919853 0.68 MAPT (0.54) LIMK1CDK5CDK5R1TNKSTNKS2

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
WO-2021034017-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-25 — — WO disclosed
Send feedback