SCHEMBL24577437

SCHEMBL24577437

Cc1ncc(N)cc1NC(=O)c1cnn2cc(-c3cnn4c3COCC4)sc12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ POLQ O75417 2/20 0.34
▸ IRAK4 Q9NWZ3 14/20 0.33
▸ IKBKE Q14164 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ IRAK1 P51617 1/20 0.32
▸ RAF1 P04049 1/20 0.32
▸ PDGFRA P16234 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
SCHEMBL29759926 1.00 CCNT1 (0.36) CCNT1CDK9POLQIRAK4IKBKE
Hydrochloric Acid SCHEMBL29760151 0.99 CCNT1 (0.35) CCNT1CDK9POLQIRAK4IKBKE
SCHEMBL29759922 0.89 CCNT1 (0.35) CCNT1CDK9POLQIRAK4IRAK1
SCHEMBL24579066 0.89 CCNT1 (0.35) CCNT1CDK9POLQIRAK4IRAK1
SCHEMBL24577427 0.89 IRAK4 (0.38) CCNT1CDK9POLQIRAK4IRAK1
SCHEMBL27184980 0.89 CCNT1 (0.35) CCNT1CDK9POLQIRAK4IRAK1
SCHEMBL24579079 0.86 CCNT1 (0.35) CCNT1CDK9POLQIRAK4RAF1
SCHEMBL29759708 0.86 CCNT1 (0.35) CCNT1CDK9POLQIRAK4RAF1
SCHEMBL24577845 0.85 POLQ (0.33) CCNT1CDK9POLQIRAK4IRAK1
SCHEMBL24577464 0.85 WNT3A (0.34) CCNT1CDK9POLQIRAK4RAF1

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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