SCHEMBL27295941

SCHEMBL27295941

COc1c(Nc2nc(Nc3ccccn3)ncc2C(=O)O)cccc1-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ TYRO3 Q06418 1/20 0.45
▸ MERTK Q12866 1/20 0.45
▸ GAS6 Q14393 1/20 0.45
▸ CCNK O75909 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CCND3 P30281 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ CDK6 Q00534 1/20 0.44
▸ TYK2 P29597 7/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ MAPK8 P45983 3/20 0.42
▸ ULK1 O75385 2/20 0.41
▸ AURKA O14965 3/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ ALK Q9UM73 1/20 0.40

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
SCHEMBL30923280 1.00 PTK2 (0.45) PTK2FLT3TYRO3MERTKGAS6
SCHEMBL27290259 0.91 JAK3 (0.51) PTK2FLT3TYRO3MERTKGAS6
SCHEMBL30923225 0.91 JAK3 (0.51) PTK2FLT3TYRO3MERTKGAS6
SCHEMBL27292535 0.91 CCNK (0.47) PTK2CCNKCCNA2CDK2CCND3
SCHEMBL30923145 0.91 CCNK (0.47) PTK2CCNKCCNA2CDK2CCND3
SCHEMBL30923379 0.88 PTK2 (0.49) PTK2FLT3TYRO3MERTKGAS6
SCHEMBL27296020 0.88 PTK2 (0.49) PTK2FLT3TYRO3MERTKGAS6
SCHEMBL27292678 0.87 EGFR (0.46) PTK2CCNKCCNA2CDK2CCND3
SCHEMBL30923223 0.87 EGFR (0.46) PTK2CCNKCCNA2CDK2CCND3
SCHEMBL27292627 0.86 DHODH (0.50) 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
Send feedback