SCHEMBL30809528

SCHEMBL30809528

Cc1ncc(C(=O)NCCN2CC[C@H](C)C2)cc1NC(=O)c1cnn2cc(-c3cnn4c3CCC4)sc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 2/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ POLQ O75417 1/20 0.35
▸ KIT P10721 2/20 0.33
▸ JAK1 P23458 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ BCL9 O00512 1/20 0.31
▸ CTNNB1 P35222 1/20 0.31
▸ CDK9 P50750 2/20 0.30
▸ CCNT1 O60563 1/20 0.30
▸ HSD17B13 Q7Z5P4 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
SCHEMBL30809496 0.92 PDGFRA (0.42) PDGFRACHRM1HRH3POLQKIT
SCHEMBL30809490 0.91 PDGFRA (0.44) PDGFRACHRM1HRH3POLQKIT
SCHEMBL30809550 0.91 PDGFRA (0.42) PDGFRACHRM1HRH3POLQKIT
SCHEMBL30809553 0.89 PDGFRA (0.43) PDGFRACHRM1HRH3POLQKIT
SCHEMBL24576994 0.89 PDGFRA (0.45) PDGFRACHRM1HRH3POLQKIT
SCHEMBL29759492 0.89 PDGFRA (0.45) PDGFRACHRM1HRH3POLQKIT
SCHEMBL29760054 0.88 PDGFRA (0.41) PDGFRACHRM1HRH3POLQKIT
SCHEMBL24578004 0.88 PDGFRA (0.41) PDGFRACHRM1HRH3POLQKIT
SCHEMBL24577503 0.87 PDGFRA (0.40) PDGFRACHRM1HRH3POLQKIT
SCHEMBL29759584 0.87 PDGFRA (0.40) PDGFRACHRM1HRH3POLQKIT

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 claimed
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