SCHEMBL30332533

SCHEMBL30332533

NCc1cccnc1-c1cnn(CCO)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.43
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ MET P08581 10/20 0.42
▸ KIT P10721 1/20 0.41
▸ PDK2 Q15119 2/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ JAK1 P23458 2/20 0.41
▸ TYK2 P29597 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ FEN1 P39748 1/20 0.40
▸ IKBKE Q14164 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ PIK3CD O00329 1/20 0.39

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
SCHEMBL30331919 0.81 PIM1 (0.45) DPP4METPDK2JAK2JAK1
SCHEMBL30332368 0.80 DPP4 (0.51) DPP4PRMT5WDR77METKIT
SCHEMBL30332259 0.78 JAK2 (0.45) METKITPDK2JAK2JAK1
SCHEMBL30332252 0.74 DPP4 (0.41) DPP4PDK2JAK2JAK1TYK2
SCHEMBL22918695 0.71 PRMT5 (0.53) PRMT5WDR77METKITPDK2
SCHEMBL439097 0.70 DPP4 (0.63) DPP4
SCHEMBL11826508 0.70 L3MBTL1 (0.61) PRMT5WDR77METKITPDK2
SCHEMBL5616194 0.69 DPP4 (0.59) DPP4
SCHEMBL30332536 0.68 CYP2A6 (0.56) DPP4CYP2C9
SCHEMBL9400328 0.68 CYP2A6 (0.56) DPP4CYP2C9

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
WO-2023046128-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-30 — — WO disclosed
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