SCHEMBL29857640

SCHEMBL29857640

Cn1ccc(-c2cc(Br)cnc2N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.43
▸ HTT P42858 2/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ BMPR1A P36894 1/20 0.39
▸ ACVRL1 P37023 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ IKBKE Q14164 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ LRRK2 Q5S007 2/20 0.38
▸ FGFR1 P11362 2/20 0.37
▸ FGFR2 P21802 2/20 0.37
▸ FGFR3 P22607 2/20 0.37
▸ PIP5K1C O60331 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ MEN1 O00255 3/20 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
SCHEMBL26916829 1.00 KMT2A (0.43) KMT2AHTTKEAP1PIK3CDPIK3CB
SCHEMBL19480882 0.82 CYP2A6 (0.46) KMT2AKEAP1PIK3CDPIK3CBPIK3CG
SCHEMBL25295400 0.81 MAPK10 (0.37) KMT2AKEAP1ADORA2AJMJD6NPC1
SCHEMBL30509979 0.81 MAPK10 (0.37) KMT2AKEAP1ADORA2AJMJD6NPC1
SCHEMBL19480880 0.81 ATR (0.42) KMT2AKEAP1PIK3CDPIK3CBPIK3CG
SCHEMBL17203633 0.77 KMT2A (0.43) KMT2AHTTPIK3CDPIK3CBPIK3CG
SCHEMBL26917043 0.77 PIK3CD (0.41) KMT2AKEAP1PIK3CDPIK3CBPIK3CG
SCHEMBL17203227 0.76 KMT2A (0.42) KMT2AHTTPIK3CDPIK3CBPIK3CG
SCHEMBL28983677 0.75 PIK3CD (0.42) KMT2AKEAP1PIK3CDPIK3CBPIK3CG
SCHEMBL30177024 0.75 PIK3CD (0.42) KMT2AKEAP1PIK3CDPIK3CBPIK3CG

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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