SCHEMBL31006818

SCHEMBL31006818

CC(C)(C)OC(=O)N1CCc2c(nc(N3CCOCC3)nc2N2CCC[C@@H](N)C2)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 3/20 0.49
▸ PIK3R1 P27986 16/20 0.49
▸ PIK3CA P42336 16/20 0.49
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ RAF1 P04049 1/20 0.42
▸ BRAF P15056 1/20 0.42

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
SCHEMBL31006819 1.00 MTOR (0.49) MTORPIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL31006771 0.85 MTOR (0.41) MTORRAF1BRAF
SCHEMBL31006848 0.81 MTOR (0.47) MTORPIK3R1PIK3CARAF1BRAF
SCHEMBL24074637 0.80 PIK3CA (0.50) MTORPIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL30339414 0.80 PIK3CA (0.50) MTORPIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL31006857 0.80 CYP8B1 (0.43) MTORPIK3CD
SCHEMBL441537 0.76 MTOR (0.59) MTORPIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL22718259 0.76 MTOR (0.59) MTORPIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL24955676 0.75 MTOR (0.57) MTORPIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL20042972 0.73 MTOR (0.47) MTORPIK3R1PIK3CAPIK3CDPIK3CB

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-118480029-A 2-Aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-08-13 — — CN disclosed
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