SCHEMBL24577244

SCHEMBL24577244

COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(C(=O)NCCN4CCCC4(C)C)cnc3C)c2s1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 4/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ HRH3 Q9Y5N1 1/20 0.59
▸ TYK2 P29597 5/20 0.36
▸ IRAK4 Q9NWZ3 3/20 0.36
▸ PIM1 P11309 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ JAK1 P23458 3/20 0.32
▸ JAK2 O60674 2/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ ADRA2B P18089 1/20 0.31

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
SCHEMBL29760120 1.00 PDGFRA (0.59) PDGFRACHRM1HRH3TYK2IRAK4
SCHEMBL30809534 0.93 PDGFRA (0.56) PDGFRACHRM1HRH3TYK2IRAK4
SCHEMBL30809517 0.90 PDGFRA (0.60) PDGFRACHRM1HRH3TYK2IRAK4
SCHEMBL24578973 0.89 PDGFRA (0.44) PDGFRACHRM1HRH3TYK2IRAK4
SCHEMBL29759857 0.89 PDGFRA (0.44) PDGFRACHRM1HRH3TYK2IRAK4
SCHEMBL29759923 0.88 PDGFRA (0.43) PDGFRACHRM1HRH3TYK2IRAK4
SCHEMBL27185336 0.88 PDGFRA (0.43) PDGFRACHRM1HRH3TYK2IRAK4
SCHEMBL30809574 0.88 PDGFRA (0.59) PDGFRACHRM1HRH3IRAK4
SCHEMBL24578079 0.88 PDGFRA (0.64) PDGFRACHRM1HRH3IRAK4PDE10A
SCHEMBL29760020 0.88 PDGFRA (0.64) PDGFRACHRM1HRH3IRAK4PDE10A

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-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 — — WO disclosed
Send feedback