SCHEMBL23874643

SCHEMBL23874643

CCC(C)(C)c1nc(-c2ccc3c(c2)-c2ccccc2C3(C)C)c2sc3ccccc3c2n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.35
▸ TNKS2 Q9H2K2 2/20 0.35
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PIM1 P11309 1/20 0.30
▸ PIM2 Q9P1W9 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
SCHEMBL23473642 0.90 TNKS (0.39) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL23184019 0.84 TNKS (0.39) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL23920358 0.80 TNKS (0.34) TNKSTNKS2MEN1MAPTHTT
SCHEMBL23874644 0.80 — —
SCHEMBL24701227 0.79 KMT2A (0.36) L3MBTL1MEN1MAPTHTTKMT2A
SCHEMBL19106204 0.77 MEN1 (0.37) TNKSTNKS2ATMMEN1MAPT
SCHEMBL24127779 0.77 TNKS (0.32) TNKSTNKS2ATMMEN1KMT2A
SCHEMBL24127783 0.77 TNKS (0.32) TNKSTNKS2ATMMEN1KMT2A
SCHEMBL18859537 0.77 TNKS (0.36) TNKSTNKS2ATML3MBTL1MAPT
SCHEMBL24127781 0.76 PIM1 (0.33) TNKSTNKS2ATMMEN1KMT2A

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
US-20210305519-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-09-30 — — US disclosed
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