SCHEMBL29167804

SCHEMBL29167804

COc1ncc(F)cc1[C@H](C)N

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.38
CD274 Q9NZQ7 5/20 0.35
PDCD1LG2 Q9BQ51 3/20 0.35
PIK3CA P42336 3/20 0.34
ALK Q9UM73 4/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
MTOR P42345 1/20 0.34
PDCD1 Q15116 2/20 0.33
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
PDE2A O00408 1/20 0.33
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
SCN9A Q15858 1/20 0.32
MAP3K14 Q99558 2/20 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
SCHEMBL22996519 1.00 MAP4K1 (0.38) MAP4K1CD274PDCD1LG2PIK3CAALK
SCHEMBL18361541 1.00 MAP4K1 (0.38) MAP4K1CD274PDCD1LG2PIK3CAALK
Hydrochloric Acid SCHEMBL23500987 0.98 MAP4K1 (0.38) MAP4K1CD274PDCD1LG2PIK3CAALK
Hydrochloric Acid SCHEMBL23500986 0.98 MAP4K1 (0.38) MAP4K1CD274PDCD1LG2PIK3CAALK
Hydrochloric Acid SCHEMBL30512171 0.98 MAP4K1 (0.38) MAP4K1CD274PDCD1LG2PIK3CAALK
SCHEMBL25171167 0.88 MAP4K1 (0.34) MAP4K1CD274PDCD1LG2PIK3CAALK
SCHEMBL30395524 0.88 MAP4K1 (0.34) MAP4K1CD274PDCD1LG2PIK3CAALK
SCHEMBL25171166 0.88 MAP4K1 (0.34) MAP4K1CD274PDCD1LG2PIK3CAALK
SCHEMBL15150582 0.87 P2RX3 (0.35) MAP4K1PIK3CAMAPTCASP1P2RX3
SCHEMBL25224803 0.84 SCN9A (0.33) MAP4K1PIK3CAMAPTCASP1SCN9A

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
CN-117624166-A Triazole derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-03-01 CN disclosed
CN-117586277-A Macrocyclic triazole derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-02-23 CN disclosed