SCHEMBL30809553

SCHEMBL30809553

Cc1ncc(C(=O)NCCN2CCC[C@@H]2C)cc1NC(=O)c1cnn2cc(-c3cnn4c3CCC4)sc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 2/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ POLQ O75417 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SLC2A1 P11166 1/20 0.33
▸ CACNA1G O43497 3/20 0.33
▸ ACKR3 P25106 2/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL29760054 0.90 PDGFRA (0.41) PDGFRACHRM1HRH3KDM4EHSD17B10
SCHEMBL24578004 0.90 PDGFRA (0.41) PDGFRACHRM1HRH3KDM4EHSD17B10
SCHEMBL30809482 0.89 PDGFRA (0.40) PDGFRACHRM1HRH3KDM4EPOLQ
SCHEMBL24577503 0.89 PDGFRA (0.40) PDGFRACHRM1HRH3POLQKIT
SCHEMBL29759584 0.89 PDGFRA (0.40) PDGFRACHRM1HRH3POLQKIT
SCHEMBL30809490 0.89 PDGFRA (0.44) PDGFRACHRM1HRH3HSD17B10ALDH1A1
SCHEMBL30809528 0.89 PDGFRA (0.41) PDGFRACHRM1HRH3POLQRAB9A
SCHEMBL30809496 0.89 PDGFRA (0.42) PDGFRACHRM1HRH3POLQKIT
SCHEMBL30809510 0.89 PDGFRA (0.40) PDGFRACHRM1HRH3KDM4EPOLQ
SCHEMBL29760118 0.88 PDGFRA (0.39) 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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