SCHEMBL24951998

SCHEMBL24951998

Cc1ncc([N+](=O)[O-])cc1NC(=O)c1cnc(Cl)nc1N(C)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JUN P05412 2/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41
▸ MAPT P10636 6/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ POLB P06746 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RORC P51449 2/20 0.40
▸ TNF P01375 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ XPO1 O14980 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ MCL1 Q07820 1/20 0.38

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
SCHEMBL30202828 1.00 JUN (0.41) JUNNFKB1NFKB2RELAMAPT
SCHEMBL30202952 0.85 JUN (0.46) JUNNFKB1NFKB2RELAMAPT
SCHEMBL24951472 0.79 NFKB1 (0.46) JUNNFKB1NFKB2RELAMAPT
SCHEMBL24952254 0.77 RAB9A (0.47) JUNNFKB1NFKB2RELAMAPT
SCHEMBL22145716 0.76 NPC1 (0.50) JUNNFKB1NFKB2RELAMAPT
SCHEMBL20558515 0.75 NFKB1 (0.54) JUNNFKB1NFKB2RELAMAPT
SCHEMBL20558385 0.73 RXFP1 (0.46) JUNNFKB1NFKB2RELAPOLB
SCHEMBL20558390 0.72 XPO1 (0.58) JUNNFKB1NFKB2RELANPC1
SCHEMBL4727523 0.71 GAA (0.46) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL22145719 0.71 NFKB1 (0.48) JUNNFKB1NFKB2RELAMAPT

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-2023007009-A1 PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-02-02 — — WO disclosed
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