SCHEMBL27292595

SCHEMBL27292595

CCOC(=O)c1cnc(Nc2ccccn2)nc1Nc1cccc(-c2ncccn2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ PTK2 Q05397 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ALOX15 P16050 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ CCNK O75909 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CCND3 P30281 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ CDK6 Q00534 1/20 0.46
▸ SIRT5 Q9NXA8 8/20 0.46
▸ IGF1R P08069 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ ULK1 O75385 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL30923248 1.00 MAPT (0.49) MAPTSMN1; SMN2PTK2ALDH1A1ALOX15
SCHEMBL30923379 0.92 PTK2 (0.49) MAPTSMN1; SMN2PTK2ALDH1A1ALOX15
SCHEMBL27296020 0.92 PTK2 (0.49) MAPTSMN1; SMN2PTK2ALDH1A1ALOX15
SCHEMBL27292517 0.90 TYK2 (0.54) MAPTSMN1; SMN2PTK2ALDH1A1ALOX15
SCHEMBL27292739 0.89 PTK2 (0.46) MAPTSMN1; SMN2PTK2ALDH1A1ALOX15
SCHEMBL30923145 0.88 CCNK (0.47) PTK2CCNKCCNA2CDK2CCND3
SCHEMBL27292535 0.88 CCNK (0.47) PTK2CCNKCCNA2CDK2CCND3
SCHEMBL27294058 0.88 TYK2 (0.55) MAPTSMN1; SMN2PTK2ALDH1A1ALOX15
SCHEMBL30923144 0.87 TYK2 (0.52) PTK2CCNKCCNA2CDK2CCND3
SCHEMBL27289879 0.87 TYK2 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107658-A2 INHIBITORS OF TYK2 VYRNWY THERAPEUTICS, INC. (US) 2024-05-23 — — WO disclosed
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