SCHEMBL31398010

SCHEMBL31398010

Cn1cnc(-c2cccc(NC(=O)c3cnn4ccc(C5CC5)nc34)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 6/20 0.45
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ JAK2 O60674 4/20 0.43
▸ NLRP3 Q96P20 1/20 0.43
▸ JAK1 P23458 2/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ PIK3CG P48736 1/20 0.40
▸ MAT2A P31153 3/20 0.40
▸ CBLB Q13191 1/20 0.40

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
SCHEMBL31397922 0.96 IRAK4 (0.48) IRAK4NPC1RAB9ASMN1; SMN2JAK2
SCHEMBL31397890 0.90 IRAK4 (0.45) IRAK4JAK2JAK1MAPK1HTT
SCHEMBL31397983 0.89 IRAK4 (0.47) IRAK4JAK2JAK1PIK3CGMAT2A
SCHEMBL31397872 0.89 IRAK4 (0.44) IRAK4JAK2JAK1MAPK1HTT
SCHEMBL31397907 0.89 IRAK4 (0.44) IRAK4JAK2JAK1PIK3CG
SCHEMBL31397931 0.89 IRAK4 (0.44) IRAK4JAK2JAK1PIK3CGMAT2A
SCHEMBL31397919 0.88 JAK2 (0.43) IRAK4NPC1RAB9ASMN1; SMN2JAK2
SCHEMBL31397910 0.88 IRAK4 (0.45) IRAK4JAK2JAK1MAPK1HTT
SCHEMBL31397921 0.87 MAPT (0.44) IRAK4JAK2JAK1PIK3CGMAT2A
SCHEMBL31398000 0.86 IRAK4 (0.59) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024262911-A1 NOVEL PYRAZOLO PYRIMIDINE-BASED COMPOUND AND USE THEREOF 주식회사 에이조스바이오 2024-12-26 — — WO claimed
WO-2024262911-A1 NOVEL PYRAZOLO PYRIMIDINE-BASED COMPOUND AND USE THEREOF 주식회사 에이조스바이오 2024-12-26 — — WO disclosed
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