SCHEMBL30923223

SCHEMBL30923223

COc1ccc(-c2cccc(Nc3nc(Nc4ccccn4)ncc3C(=O)O)c2OC)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.46
▸ KDR P35968 1/20 0.46
▸ PTK2 Q05397 2/20 0.42
▸ CCNK O75909 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ MAP3K7 O43318 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ TYK2 P29597 3/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ MAPK8 P45983 3/20 0.40
▸ ULK1 O75385 2/20 0.39
▸ SYK P43405 2/20 0.39
▸ AURKA O14965 2/20 0.38

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
SCHEMBL27292678 1.00 EGFR (0.46) EGFRKDRPTK2CCNKCCNA2
SCHEMBL27290899 0.92 JAK2 (0.48) EGFRKDRPTK2CDK2FGFR1
SCHEMBL30923147 0.92 JAK2 (0.48) EGFRKDRPTK2CDK2FGFR1
SCHEMBL27292739 0.89 PTK2 (0.46) EGFRKDRPTK2CCNKCCNA2
SCHEMBL30923145 0.88 CCNK (0.47) PTK2CCNKCCNA2CDK2CCND3
SCHEMBL27292535 0.88 CCNK (0.47) PTK2CCNKCCNA2CDK2CCND3
SCHEMBL27295941 0.87 PTK2 (0.45) PTK2CCNKCCNA2CDK2CCND3
SCHEMBL30923280 0.87 PTK2 (0.45) PTK2CCNKCCNA2CDK2CCND3
SCHEMBL27292627 0.87 DHODH (0.50) PTK2CCNKCCNA2CDK2CCND3
SCHEMBL27294015 0.82 TYK2 (0.59) PTK2CCNKCCNA2CDK2CCND3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4618975-A2 INHIBITORS OF TYK2 Vyrnwy Therapeutics, Inc. (US) 2025-09-24 — — EP disclosed
WO-2024107658-A2 INHIBITORS OF TYK2 VYRNWY THERAPEUTICS, INC. (US) 2024-05-23 — — WO disclosed
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