SCHEMBL29759578

SCHEMBL29759578

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 2/20 0.40
▸ KIT P10721 2/20 0.40
▸ PDGFRA P16234 2/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ IKBKE Q14164 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ NTRK1 P04629 4/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ STING1 Q86WV6 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 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
SCHEMBL24578740 1.00 CSF1R (0.40) CSF1RKITPDGFRACHRM1HRH3
SCHEMBL24578101 0.96 PDGFRA (0.41) CSF1RKITPDGFRACHRM1HRH3
SCHEMBL29759564 0.96 PDGFRA (0.41) CSF1RKITPDGFRACHRM1HRH3
SCHEMBL29759824 0.93 ALDH1A1 (0.43) CSF1RKITPDGFRACHRM1HRH3
SCHEMBL24577074 0.93 ALDH1A1 (0.43) CSF1RKITPDGFRACHRM1HRH3
SCHEMBL24577752 0.90 CHRM1 (0.40) CSF1RKITPDGFRACHRM1HRH3
SCHEMBL29759874 0.89 IKBKE (0.40) CSF1RKITPDGFRACHRM1HRH3
SCHEMBL24577220 0.89 IKBKE (0.40) CSF1RKITPDGFRACHRM1HRH3
SCHEMBL29759755 0.88 KIT (0.42) CSF1RKITPDGFRACHRM1HRH3
SCHEMBL27185302 0.88 KIT (0.44) CSF1RKITPDGFRACHRM1HRH3

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-4267585-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2023-11-01 — — EP disclosed
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 — — WO disclosed
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