SCHEMBL30809563

SCHEMBL30809563

Cc1ncc(C(=O)O)cc1NC(=O)c1cnn2cc(-c3cnn(CCF)c3)sc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 2/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ IKBKE Q14164 7/20 0.34
▸ TBK1 Q9UHD2 7/20 0.34
▸ NTRK1 P04629 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ CSF1R P07333 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ POLQ O75417 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ STING1 Q86WV6 1/20 0.30

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
SCHEMBL30809475 0.92 PDGFRA (0.37) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL29760255 0.91 IKBKE (0.44) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL24577574 0.88 PDGFRA (0.46) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL29759889 0.82 PDGFRA (0.38) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL24577098 0.82 IKBKE (0.42) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL29759768 0.82 IKBKE (0.42) PDGFRACHRM1HRH3IKBKETBK1
Hydrochloric Acid SCHEMBL27185082 0.81 IKBKE (0.42) PDGFRACHRM1HRH3IKBKETBK1
Hydrochloric Acid SCHEMBL30566540 0.81 IKBKE (0.42) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL29760097 0.81 MAPK13 (0.39) PDGFRACHRM1HRH3MAPK14POLQ
SCHEMBL29759861 0.81 PDGFRA (0.36) PDGFRACHRM1HRH3NTRK1MAPK14

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