SCHEMBL31087019

SCHEMBL31087019

Brc1cnc(-c2cn[nH]c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.43
AKT1 P31749 1/20 0.43
CHEK1 O14757 1/20 0.37
CHEK2 O96017 1/20 0.37
ABL1 P00519 1/20 0.37
MAPK1 P28482 2/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
TPX2 Q9ULW0 1/20 0.35
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL3419294 0.77 AKT2 (0.52) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL30582723 0.74 AKT2 (0.48) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL26131947 0.74 AKT2 (0.48) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL3740850 0.72 AKT2 (0.70) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL26953475 0.71 AKT2 (0.50) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL481994 0.71 AKT2 (0.61) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL26172871 0.71 NPC1 (0.41) CHEK1ABL1AURKAAURKBNPC1
Hydrochloric Acid SCHEMBL28973063 0.70 AKT2 (0.67) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL22777207 0.70 LRRK2 (0.57) AKT2AKT1CHEK1ABL1MAPK1
SCHEMBL30792042 0.70 AKT2 (0.43) AKT2AKT1CHEK1CHEK2ABL1

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-4676547-A2 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2026-01-14 EP disclosed
WO-2024186584-A2 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-09-12 WO disclosed