SCHEMBL31481682

SCHEMBL31481682

Cc1cc(C(C)N)c2oc(-c3cnn(C)c3)c(C)c(=O)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ INCENP Q9NQS7 1/20 0.35
▸ ACLY P53396 1/20 0.35
▸ PIK3CA P42336 4/20 0.35
▸ CDK2 P24941 3/20 0.34
▸ MET P08581 3/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ AKT2 P31751 1/20 0.34
▸ AKT3 Q9Y243 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ PRMT5 O14744 2/20 0.33
▸ WDR77 Q9BQA1 2/20 0.33
▸ CREBBP Q92793 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ MST1R Q04912 1/20 0.32
▸ PIM1 P11309 1/20 0.32

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
SCHEMBL26881431 1.00 AURKA (0.35) AURKATTKAURKBINCENPACLY
SCHEMBL27009554 1.00 AURKA (0.35) AURKATTKAURKBINCENPACLY
SCHEMBL27132366 0.93 PIK3CA (0.33) PIK3CACDK2AKT1AKT2AKT3
SCHEMBL27008395 0.93 PIK3CA (0.33) PIK3CACDK2AKT1AKT2AKT3
SCHEMBL30742146 0.93 PIK3CA (0.33) PIK3CACDK2AKT1AKT2AKT3
SCHEMBL30928408 0.89 ACLY (0.37) AURKATTKAURKBINCENPACLY
SCHEMBL30928402 0.89 ACLY (0.37) AURKATTKAURKBINCENPACLY
SCHEMBL27129172 0.88 PRMT5 (0.37) PIK3CACDK2AKT1AKT2AKT3
SCHEMBL26881834 0.88 PRMT5 (0.37) PIK3CACDK2AKT1AKT2AKT3
SCHEMBL27129795 0.87 PIK3CA (0.39) AURKATTKAURKBINCENPPIK3CA

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-119874676-A PI3K inhibitor and preparation method and application thereof 海创药业股份有限公司 2025-04-25 — — CN disclosed
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