SCHEMBL30809475

SCHEMBL30809475

COC(=O)c1cnc(C)c(NC(=O)c2cnn3cc(-c4cnn(CCF)c4)sc23)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 2/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ IKBKE Q14164 7/20 0.36
▸ TBK1 Q9UHD2 7/20 0.36
▸ STING1 Q86WV6 1/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ POLQ O75417 1/20 0.32
▸ ABL1 P00519 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ IRAK4 Q9NWZ3 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
SCHEMBL30809563 0.92 PDGFRA (0.38) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL29760255 0.86 IKBKE (0.44) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL24577201 0.83 LMNA (0.39) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL24577136 0.82 PDGFRA (0.45) PDGFRACHRM1HRH3MAPK14IRAK4
SCHEMBL24578823 0.82 IKBKE (0.48) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL29759699 0.82 IKBKE (0.48) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL24578953 0.81 IKBKE (0.44) PDGFRACHRM1HRH3IKBKETBK1
Hydrochloric Acid SCHEMBL29759717 0.81 IKBKE (0.47) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL24578901 0.80 STING1 (0.36) PDGFRACHRM1HRH3STING1MAPK14
SCHEMBL24577098 0.80 IKBKE (0.42) PDGFRACHRM1HRH3IKBKETBK1

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-2023247596-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 — — WO disclosed
Send feedback