SCHEMBL31439330

SCHEMBL31439330

COc1ccc(-n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.45
▸ BRD2 P25440 5/20 0.45
▸ BRD3 Q15059 5/20 0.45
▸ PIK3CA P42336 4/20 0.41
▸ MTOR P42345 3/20 0.41
▸ CYP3A4 P08684 4/20 0.39
▸ CYP2C9 P11712 4/20 0.39
▸ ENPP1 P22413 1/20 0.38
▸ MAP3K11 Q16584 1/20 0.37
▸ AMY1A P0DUB6 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36

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
SCHEMBL31439289 0.84 PIK3CA (0.47) PIK3CAMTORMAP3K11ALDH1A1KMT2A
SCHEMBL5653378 0.83 PIK3CA (0.42) PIK3CAMTORLMNAGABRA1GABRG2
SCHEMBL28590002 0.81 PIK3CA (0.46) BRD4BRD2BRD3PIK3CAMTOR
SCHEMBL31439336 0.80 PIK3CA (0.52) PIK3CAMTOR
SCHEMBL18998180 0.78 GABRA1 (0.54) BRD4BRD2BRD3KDM4EALDH1A1
SCHEMBL1074861 0.78 KDM4E (0.46) BRD4BRD2BRD3KDM4EALDH1A1
SCHEMBL20390762 0.78 PIK3CA (0.44) BRD4BRD2BRD3PIK3CAMTOR
SCHEMBL31439381 0.78 PIK3CA (0.44) BRD4BRD2BRD3PIK3CAMTOR
SCHEMBL31439332 0.78 GABRA1 (0.37) PIK3CAMTORCYP3A4TP53GABRA1
SCHEMBL31439349 0.77 GABRA1 (0.38) BRD4BRD2BRD3PIK3CAMTOR

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-119661531-A Imidazolone compound as well as preparation method and application thereof 北京富龙康泰生物技术有限公司 2025-03-21 — — CN disclosed
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