SCHEMBL29759704

SCHEMBL29759704

CCCNCC(=O)Nc1cnc(C)c(NC(=O)c2cnn3cc(Br)sc23)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 7/20 0.34
▸ CHRM1 P11229 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TYK2 P29597 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ IRAK4 Q9NWZ3 3/20 0.31
▸ POLB P06746 1/20 0.30
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ ATM Q13315 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
SCHEMBL27185248 1.00 MAPK14 (0.34) MAPK14CHRM1PDGFRAHRH3GAA
SCHEMBL29759568 0.89 ALDH1A1 (0.38) CHRM1PDGFRAHRH3ALDH1A1TYK2
SCHEMBL24577737 0.89 ALDH1A1 (0.38) CHRM1PDGFRAHRH3ALDH1A1TYK2
SCHEMBL29759753 0.88 IRAK4 (0.31) CHRM1PDGFRAHRH3ALDH1A1TYK2
SCHEMBL29759657 0.88 KDM1A (0.35) CHRM1PDGFRAHRH3GAACSF1R
SCHEMBL24579053 0.88 KDM1A (0.35) CHRM1PDGFRAHRH3GAACSF1R
SCHEMBL29759739 0.85 EPHB3 (0.34) CHRM1PDGFRAHRH3TYK2CSF1R
SCHEMBL29759822 0.84 ALDH1A1 (0.34) CHRM1PDGFRAHRH3GAAALDH1A1
SCHEMBL29759664 0.84 MEN1 (0.36) CHRM1PDGFRAHRH3GAAALDH1A1
SCHEMBL27185086 0.84 MEN1 (0.36) CHRM1PDGFRAHRH3GAAALDH1A1

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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