SCHEMBL31398145

SCHEMBL31398145

Cn1cnc(-c2cccc(NC(=O)c3cnn4ccc(C5=CCCCC5)nc34)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NLRP3 Q96P20 1/20 0.40
▸ IRAK4 Q9NWZ3 3/20 0.39
▸ ATR Q13535 1/20 0.39
▸ PIK3CG P48736 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ CBLB Q13191 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ STING1 Q86WV6 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ CREBBP Q92793 1/20 0.35

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
SCHEMBL31398010 0.82 IRAK4 (0.45) JAK2NPC1RAB9ASMN1; SMN2NLRP3
SCHEMBL31398161 0.82 NPC1 (0.50) JAK2NPC1RAB9ASMN1; SMN2NLRP3
SCHEMBL31397922 0.82 IRAK4 (0.48) JAK2NPC1RAB9ASMN1; SMN2NLRP3
SCHEMBL31397905 0.80 JAK2 (0.47) JAK2NPC1RAB9ASMN1; SMN2NLRP3
SCHEMBL31398000 0.79 IRAK4 (0.59) IRAK4
SCHEMBL31397893 0.79 IRAK4 (0.66) IRAK4
SCHEMBL31397881 0.78 JAK2 (0.45) JAK2NPC1RAB9ASMN1; SMN2NLRP3
SCHEMBL31397915 0.77 JAK2 (0.45) JAK2NPC1RAB9ASMN1; SMN2NLRP3
SCHEMBL31397924 0.76 IRAK4 (0.52) IRAK4
SCHEMBL31397942 0.76 IRAK4 (0.68) 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 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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