SCHEMBL29780211

SCHEMBL29780211

N#Cc1cc(F)cc(Nc2ncnc3[nH]ncc23)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 6/20 0.62
▸ MAPK1 P28482 3/20 0.62
▸ HTT P42858 1/20 0.62
▸ LCK P06239 2/20 0.51
▸ CCNT1 O60563 1/20 0.50
▸ CCNA2 P20248 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ CDK9 P50750 1/20 0.50
▸ CCNA1 P78396 1/20 0.50
▸ TTBK1 Q5TCY1 1/20 0.49
▸ PTK2 Q05397 1/20 0.48
▸ ABL1 P00519 1/20 0.47
▸ BCR P11274 1/20 0.47
▸ PDPK1 O15530 2/20 0.47
▸ FLT3 P36888 2/20 0.43
▸ TNNI3K Q59H18 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL23461171 1.00 MKNK1 (0.62) MKNK1MAPK1HTTLCKCCNT1
SCHEMBL29780227 0.72 METAP2 (0.38) —
SCHEMBL23478145 0.72 METAP2 (0.38) —
SCHEMBL23462206 0.71 IDO1 (0.44) —
SCHEMBL29780223 0.71 IDO1 (0.44) —
SCHEMBL1406620 0.69 MAPK1 (1.00) MKNK1MAPK1HTTLCKCCNT1
SCHEMBL1984025 0.69 GRM5 (0.44) —
SCHEMBL23461094 0.68 IDH1 (0.37) —
SCHEMBL29780205 0.68 IDH1 (0.37) —
SCHEMBL16363256 0.67 MKNK1 (0.73) MKNK1MAPK1HTTLCKCCNT1

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
CN-114760994-A Inhibitors of HIF-2 alpha 艾库斯生物科学有限公司 2022-07-15 — — CN disclosed
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