SCHEMBL30202826

SCHEMBL30202826

CN(N)c1nc(Cl)ncc1C(=O)Nc1cc(C(=O)O)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.45
▸ CREBBP Q92793 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ NR1H4 Q96RI1 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ F10 P00742 6/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ KCNQ3 O43525 3/20 0.40
▸ KCNQ2 O43526 3/20 0.40
▸ KCNQ5 Q9NR82 3/20 0.40
▸ NFKB1 P19838 2/20 0.39
▸ JUN P05412 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ KCNE1 P15382 2/20 0.38
▸ KCNQ1 P51787 2/20 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
SCHEMBL24951146 0.86 WDR5 (0.47) MEN1KMT2AF10NFKB1HDAC1
SCHEMBL30202783 0.86 WDR5 (0.47) MEN1KMT2AF10NFKB1HDAC1
SCHEMBL24952254 0.77 RAB9A (0.47) MEN1KMT2ANFKB1JUNNFKB2
SCHEMBL24951831 0.77 ALDH1A1 (0.46) MEN1KMT2ANFKB1ATF1NPC1
SCHEMBL30202682 0.77 ALDH1A1 (0.46) MEN1KMT2ANFKB1ATF1NPC1
SCHEMBL20558390 0.76 XPO1 (0.58) MEN1KMT2ANFKB1JUNNFKB2
SCHEMBL22145716 0.76 NPC1 (0.50) KMT2ANFKB1JUNNFKB2RELA
SCHEMBL20558385 0.73 RXFP1 (0.46) NFKB1JUNNFKB2RELAXPO1
SCHEMBL20558515 0.73 NFKB1 (0.54) NFKB1JUNNFKB2RELAATF1
SCHEMBL20558241 0.73 CHRNA7 (0.44) F10NFKB1JUNNFKB2RELA

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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