SCHEMBL31398130

SCHEMBL31398130

O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cnn2ccc(Cl)nc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ NLRP3 Q96P20 1/20 0.53
▸ VCP P55072 1/20 0.46
▸ JAK2 O60674 10/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ CYP3A4 P08684 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ IRAK4 Q9NWZ3 2/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ NR2E3 Q9Y5X4 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ STING1 Q86WV6 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
SCHEMBL31397951 0.89 TYK2 (0.50) NPC1RAB9ASMN1; SMN2NLRP3VCP
SCHEMBL31397954 0.85 NPC1 (0.46) NPC1RAB9ASMN1; SMN2NLRP3VCP
SCHEMBL31397976 0.84 IRAK4 (0.54) NPC1RAB9ASMN1; SMN2NLRP3JAK2
SCHEMBL31397929 0.84 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2NLRP3VCP
SCHEMBL31397965 0.82 IRAK4 (0.45) NPC1RAB9ASMN1; SMN2NLRP3VCP
SCHEMBL31397946 0.81 JAK2 (0.53) JAK2IRAK4JAK1TYK2JAK3
SCHEMBL31397927 0.81 NPC1 (0.42) NPC1RAB9ASMN1; SMN2NLRP3VCP
SCHEMBL31397930 0.80 NPC1 (0.41) NPC1RAB9ASMN1; SMN2NLRP3VCP
SCHEMBL31398161 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2NLRP3JAK2
SCHEMBL31397988 0.76 CDKN1A (0.44) NPC1RAB9ASMN1; SMN2NLRP3VCP

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