SCHEMBL29760058

SCHEMBL29760058

NC(=O)c1cnn2cc(-c3cnn4c3COCC4)sc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 2/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ JAK1 P23458 5/20 0.32
▸ JAK3 P52333 5/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ TYK2 P29597 1/20 0.31

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
SCHEMBL24577570 0.89 CCNT1 (0.36) CCNT1CDK9
SCHEMBL24576986 0.84 BACE1 (0.37) CDK9
SCHEMBL29759980 0.79 POLQ (0.34) ACVR1CCNT1CDK9
SCHEMBL29759926 0.78 CCNT1 (0.36) CCNT1CDK9
SCHEMBL24577437 0.78 CCNT1 (0.36) CCNT1CDK9
SCHEMBL28975929 0.78 KDM4E (0.35) ACVR1CCNT1CDK9JAK1JAK3
Hydrochloric Acid SCHEMBL29760151 0.78 CCNT1 (0.35) CCNT1CDK9
SCHEMBL24577427 0.76 IRAK4 (0.38) CCNT1CDK9
SCHEMBL24579066 0.76 CCNT1 (0.35) CCNT1CDK9
SCHEMBL29759922 0.76 CCNT1 (0.35) CCNT1CDK9

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 3 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
CN-116802184-A Pyrazolothiazole carboxamides and their use as PDGFR inhibitors 埃科特莱茵药品有限公司 2023-09-22 — — CN 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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