SCHEMBL24036897

SCHEMBL24036897

Brc1ccc(-c2nc(-c3ccccc3)c3sc4ccccc4c3n2)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.37
▸ TNKS O95271 3/20 0.35
▸ TNKS2 Q9H2K2 3/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ KRAS P01116 1/20 0.33
▸ MAPT P10636 6/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ GAA P10253 1/20 0.33
▸ EGFR P00533 3/20 0.32
▸ NPSR1 Q6W5P4 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL18018269 0.88 MAPK1 (0.38) TNKSTNKS2HRH4LIMK1CDK5
SCHEMBL20670164 0.87 TNKS (0.34) CYP1A2TNKSTNKS2HRH4LIMK1
SCHEMBL29670109 0.87 TNKS (0.34) CYP1A2TNKSTNKS2HRH4LIMK1
SCHEMBL18018060 0.86 TNKS (0.39) CYP1A2TNKSTNKS2HRH4LIMK1
SCHEMBL21457887 0.85 LIMK1 (0.38) CYP1A2LIMK1PIM1PIM2MEN1
SCHEMBL18018059 0.85 TNKS (0.39) CYP1A2TNKSTNKS2HRH4LIMK1
SCHEMBL18018062 0.85 TNKS (0.39) CYP1A2TNKSTNKS2HRH4LIMK1
SCHEMBL22989232 0.85 TNKS (0.35) CYP1A2TNKSTNKS2HRH4LIMK1
SCHEMBL16902210 0.84 ALDH1A1 (0.40) TNKSTNKS2HRH4LIMK1CDK5
SCHEMBL18018080 0.84 TNKS (0.40) CYP1A2TNKSTNKS2HRH4LIMK1

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-2021230651-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-11-18 — — WO disclosed
Send feedback