SCHEMBL29858013

SCHEMBL29858013

Nc1ncc(Br)cc1-c1ccns1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ HTT P42858 2/20 0.44
▸ MEN1 O00255 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ USP7 Q93009 2/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ SHMT2 P34897 1/20 0.32
▸ CHEK1 O14757 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ PLA2G1B P04054 1/20 0.31
▸ ATG4B Q9Y4P1 1/20 0.31

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
SCHEMBL26916550 1.00 KMT2A (0.44) KMT2AHTTMEN1POLBMAPT
SCHEMBL26916976 0.78 PDGFRB (0.44) USP7ALDH1A1CHEK1CCNA2CDK2
SCHEMBL17255919 0.75 KMT2A (0.65) KMT2AHTTMEN1POLBMAPT
SCHEMBL17203430 0.73 KMT2A (0.44) KMT2AHTTMEN1POLBMAPT
SCHEMBL27742561 0.73 RAB9A (0.50) KMT2AHTTMEN1POLBMAPT
SCHEMBL26916746 0.70 FYN (0.53) KMT2AHTTMEN1POLBMAPT
SCHEMBL29582823 0.70 FYN (0.53) KMT2AHTTMEN1POLBMAPT
SCHEMBL17203507 0.70 PIK3CD (0.49) KMT2AHTTMEN1ALDH1A1NPC1
SCHEMBL16432199 0.69 KMT2A (0.52) KMT2AHTTMEN1POLBMAPT
SCHEMBL12489163 0.68 USP7 (0.53) KMT2AHTTMEN1MAPTRAB9A

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
EP-4288437-A1 MAP4K1 INHIBITORS Bayer Aktiengesellschaft (DE) 2023-12-13 — — EP disclosed
WO-2022167627-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-11 — — WO disclosed
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