SCHEMBL31398161

SCHEMBL31398161

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NLRP3 Q96P20 1/20 0.50
▸ JAK2 O60674 15/20 0.49
▸ JAK1 P23458 2/20 0.47
▸ CYP1A2 P05177 3/20 0.44
▸ CYP3A4 P08684 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CBLB Q13191 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ ROS1 P08922 1/20 0.42
▸ NTRK3 Q16288 1/20 0.42
▸ NTRK2 Q16620 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ HTT P42858 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
SCHEMBL31397905 0.86 JAK2 (0.47) NPC1RAB9ASMN1; SMN2NLRP3JAK2
SCHEMBL31398010 0.86 IRAK4 (0.45) NPC1RAB9ASMN1; SMN2NLRP3JAK2
SCHEMBL31398000 0.84 IRAK4 (0.59) —
SCHEMBL31397881 0.84 JAK2 (0.45) NPC1RAB9ASMN1; SMN2NLRP3JAK2
SCHEMBL31397922 0.84 IRAK4 (0.48) NPC1RAB9ASMN1; SMN2NLRP3JAK2
SCHEMBL31397893 0.82 IRAK4 (0.66) —
SCHEMBL31397926 0.82 JAK2 (0.46) NPC1RAB9ASMN1; SMN2NLRP3JAK2
SCHEMBL31398145 0.82 JAK2 (0.40) NPC1RAB9ASMN1; SMN2NLRP3JAK2
SCHEMBL31397915 0.82 JAK2 (0.45) NPC1RAB9ASMN1; SMN2NLRP3JAK2
SCHEMBL31398165 0.79 TYK2 (0.49) JAK2JAK1TYK2JAK3

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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