SCHEMBL24577650

SCHEMBL24577650

Cc1ncc(NC(=O)CN2CCCCC23CC3)cc1NC(=O)c1cnn2cc(-c3cnn(CCO)c3)sc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ IKBKE Q14164 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ MET P08581 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ WNT1 P04628 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ AURKB Q96GD4 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
SCHEMBL29759641 1.00 CHRM1 (0.38) CHRM1PDGFRAHRH3IKBKETBK1
SCHEMBL29759679 0.98 CHRM1 (0.40) CHRM1PDGFRAHRH3IKBKETBK1
SCHEMBL29759518 0.97 CHRM1 (0.40) CHRM1PDGFRAHRH3IKBKETBK1
SCHEMBL24577036 0.97 CHRM1 (0.40) CHRM1PDGFRAHRH3IKBKETBK1
SCHEMBL24577428 0.91 PDGFRA (0.46) CHRM1PDGFRAHRH3IKBKETBK1
SCHEMBL29759499 0.91 PDGFRA (0.46) CHRM1PDGFRAHRH3CSF1RKIT
SCHEMBL24577313 0.91 CHRM1 (0.39) CHRM1PDGFRAHRH3IKBKETBK1
SCHEMBL29759945 0.91 CHRM1 (0.39) CHRM1PDGFRAHRH3IKBKETBK1
SCHEMBL29760198 0.90 CHRM1 (0.35) CHRM1PDGFRAHRH3METAXL
SCHEMBL24577260 0.89 IKBKE (0.37) CHRM1PDGFRAHRH3IKBKETBK1

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
Send feedback