SCHEMBL30447441

SCHEMBL30447441

ClCCc1c(Cl)nc(N2CCOCC2)nc1Oc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.47
▸ POLB P06746 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ITK Q08881 1/20 0.38
▸ PIK3CG P48736 2/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ MTOR P42345 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL25220780 1.00 PIK3CA (0.47) PIK3CAPOLBRAD52MEN1KMT2A
SCHEMBL31277403 0.83 PIK3CA (0.51) PIK3CAPOLBRAD52MEN1KMT2A
SCHEMBL25256747 0.83 PIK3CA (0.51) PIK3CAPOLBRAD52MEN1KMT2A
SCHEMBL2376910 0.75 MAPK1 (0.46) MEN1KMT2AHTTNPSR1MAPT
SCHEMBL25694259 0.74 TYK2 (0.48) PIK3CAHTTNPSR1MAPTPIK3CG
SCHEMBL30353509 0.74 TYK2 (0.48) PIK3CAHTTNPSR1MAPTPIK3CG
SCHEMBL25213865 0.72 PIK3CA (0.48) PIK3CAPOLBRAD52MEN1KMT2A
SCHEMBL2378654 0.72 TSHR (0.56) PIK3CAPOLBHTTNPSR1MAPT
SCHEMBL2375785 0.72 PIK3CA (0.58) PIK3CAMEN1KMT2AHTTMAPT
SCHEMBL25402946 0.70 PIK3CA (0.60) PIK3CAPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118946360-A Bicyclic heteroarenes and methods of use thereof 奇尼塔公司 2024-11-12 — — CN disclosed
EP-4444317-A2 BICYCLIC HETEROARENES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 — — EP disclosed
WO-2023107623-A2 BICYCLIC HETEROARENES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 — — WO disclosed
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