SCHEMBL24578079

SCHEMBL24578079

Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccnc3)sc12

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 4/20 0.64
▸ CHRM1 P11229 1/20 0.64
▸ HRH3 Q9Y5N1 1/20 0.64
▸ PDE10A Q9Y233 5/20 0.35
▸ MAPK13 O15264 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ KIT P10721 2/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ CSF1R P07333 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL29760020 1.00 PDGFRA (0.64) PDGFRACHRM1HRH3PDE10AMAPK13
SCHEMBL24578594 0.93 PDGFRA (0.66) PDGFRACHRM1HRH3PDE10AMAPK13
SCHEMBL29759529 0.93 PDGFRA (0.66) PDGFRACHRM1HRH3PDE10AMAPK13
SCHEMBL29760038 0.92 PDGFRA (0.64) PDGFRACHRM1HRH3KITCSF1R
SCHEMBL24577956 0.92 PDGFRA (0.64) PDGFRACHRM1HRH3KITCSF1R
SCHEMBL29759627 0.92 PDGFRA (0.68) PDGFRACHRM1HRH3MAPK13MAPK12
SCHEMBL29759785 0.91 PDGFRA (0.62) PDGFRACHRM1HRH3PDE10AKIT
SCHEMBL24577877 0.90 PDGFRA (0.73) PDGFRACHRM1HRH3KITCSF1R
SCHEMBL29759503 0.90 PDGFRA (0.73) PDGFRACHRM1HRH3KITCSF1R
SCHEMBL24578027 0.90 PDGFRA (0.67) PDGFRACHRM1HRH3MAPK14ABL1

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
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