SCHEMBL31202804

SCHEMBL31202804

COC(=O)c1ccc2ncn(Cc3cncs3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.49
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ FGFR1 P11362 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ PARP15 Q460N3 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MMP13 P45452 1/20 0.38

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
SCHEMBL31202908 0.86 FGFR1 (0.46) BRD4FGFR1RAB9APARP15PARP10
SCHEMBL29559350 0.80 BRD4 (0.47) BRD4MAPTPOLBFGFR1RAB9A
SCHEMBL30232676 0.78 BRD4 (0.46) BRD4MAPTPOLBFGFR1RAB9A
SCHEMBL17263019 0.78 KDM4E (0.51) BRD4MAPTPOLBFGFR1RAB9A
SCHEMBL30202437 0.78 BRD4 (0.59) BRD4FGFR1SMN1; SMN2CNR1ALDH1A1
SCHEMBL17807884 0.78 BRD4 (0.59) BRD4FGFR1SMN1; SMN2CNR1ALDH1A1
SCHEMBL30233119 0.78 BRD4 (0.49) BRD4MAPTPOLBFGFR1RAB9A
SCHEMBL30686444 0.77 BRD4 (0.48) BRD4MAPTPOLBFGFR1RAB9A
SCHEMBL25121126 0.77 DRD2 (0.42) MAPTPOLBSMN1; SMN2KDM4E
SCHEMBL30680676 0.76 BRD4 (0.50) BRD4MAPTPOLBFGFR1RAB9A

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-119095843-A Compounds as GLP-1R agonists 拓臻制药公司 2024-12-06 — — CN disclosed
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