Sugi Predict

Sugi Predict / Compounds / SCHEMBL31308993

SCHEMBL31308993

SCHEMBL31308993

CC(C)CNC(C)c1cnc(-n2ccnn2)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.34
▸ USP1 O94782 13/20 0.34
▸ WDR48 Q8TAF3 7/20 0.34
▸ USP7 Q93009 1/20 0.34
▸ ADRB2 P07550 1/20 0.33
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ GPR139 Q6DWJ6 1/20 0.30

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
SCHEMBL22094175 1.00 NOTUM (0.34) NOTUMUSP1WDR48USP7ADRB2
SCHEMBL22094765 0.85 NOTUM (0.37) NOTUMUSP1WDR48USP7ADORA2A
SCHEMBL22095030 0.78 MEN1 (0.34) ADRB2
SCHEMBL22095076 0.70 NOTUM (0.39) NOTUMADORA2AADORA1CYP19A1
SCHEMBL31309043 0.70 NOTUM (0.39) NOTUMADORA2AADORA1CYP19A1
SCHEMBL25003928 0.70 NOTUM (0.40) NOTUMUSP1WDR48ADORA2AADORA1
SCHEMBL31309104 0.68 SMN1; SMN2 (0.40) —
SCHEMBL22094055 0.68 SMN1; SMN2 (0.40) —
SCHEMBL22094548 0.65 TP53 (0.40) NOTUMCYP19A1
SCHEMBL31308705 0.65 TP53 (0.40) NOTUMCYP19A1

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-113923988-B Substituted arylmethyl ureas and heteroarylmethyl ureas, analogs thereof, and methods of using the same 爱彼特生物制药公司 2024-12-13 — — CN disclosed