SCHEMBL31397950

SCHEMBL31397950

O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cnn2ccc(Nc3cccn(-c4ccccn4)c3=O)nc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.49
▸ JAK1 P23458 2/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL31397927 0.87 NPC1 (0.42) TYK2JAK1JAK2NPC1RAB9A
SCHEMBL31397976 0.78 IRAK4 (0.54) TYK2JAK1JAK2NPC1RAB9A
SCHEMBL31397929 0.78 SMN1; SMN2 (0.45) JAK2NPC1RAB9ASMN1; SMN2
SCHEMBL31397951 0.78 TYK2 (0.50) TYK2JAK1JAK2CYP3A4NPC1
SCHEMBL31398130 0.78 NPC1 (0.53) TYK2JAK1JAK2CYP3A4NPC1
SCHEMBL29789055 0.78 TYK2 (0.61) TYK2JAK1STAT3JAK2CYP3A4
SCHEMBL31397946 0.75 JAK2 (0.53) TYK2JAK1JAK2
SCHEMBL31397954 0.75 NPC1 (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL31397965 0.72 IRAK4 (0.45) TYK2JAK1JAK2NPC1RAB9A
SCHEMBL31397930 0.70 NPC1 (0.41) NPC1RAB9ASMN1; SMN2

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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