SCHEMBL30202755

SCHEMBL30202755

CCOC(=O)c1cnc(C)c(NC(=O)c2cnc(Cl)nc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 8/20 0.50
▸ ATF1 P18846 5/20 0.50
▸ JUN P05412 3/20 0.44
▸ NFKB2 Q00653 3/20 0.44
▸ RELA Q04206 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALOX15 P16050 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ XPO1 O14980 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL24952216 1.00 NFKB1 (0.50) NFKB1ATF1JUNNFKB2RELA
SCHEMBL30202695 0.86 ALDH1A1 (0.40) NFKB1ATF1JUNNFKB2RELA
SCHEMBL30202869 0.86 ALDH1A1 (0.50) NFKB1ATF1JUNNFKB2RELA
SCHEMBL24951630 0.86 ALDH1A1 (0.50) NFKB1ATF1JUNNFKB2RELA
SCHEMBL24951472 0.86 NFKB1 (0.46) NFKB1ATF1JUNNFKB2RELA
SCHEMBL24951126 0.84 NFKB1 (0.50) NFKB1ATF1JUNNFKB2RELA
SCHEMBL30202837 0.84 NFKB1 (0.50) NFKB1ATF1JUNNFKB2RELA
SCHEMBL476310 0.76 ALDH1A1 (0.59) NFKB1ATF1ALDH1A1KDM4ERAB9A
SCHEMBL29922173 0.76 ALDH1A1 (0.59) NFKB1ATF1ALDH1A1KDM4ERAB9A
SCHEMBL30202952 0.76 JUN (0.46) NFKB1JUNNFKB2RELAALDH1A1

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
EP-4376845-A1 PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2024-06-05 — — EP disclosed
WO-2023007009-A1 PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-02-02 — — WO disclosed
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