SCHEMBL25670612

SCHEMBL25670612

CCNC(=O)c1cnc(Nc2ccc(F)cc2)nc1Nc1cccc(OC2CCOCC2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKMYT1 Q99640 1/20 0.43
▸ JAK2 O60674 3/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ EGFR P00533 6/20 0.42
▸ ITK Q08881 4/20 0.42
▸ TYK2 P29597 2/20 0.42
▸ AURKA O14965 2/20 0.42
▸ RIPK1 Q13546 2/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ PTK2 Q05397 3/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ PTK2B Q14289 1/20 0.41
▸ NTRK3 Q16288 1/20 0.41
▸ NTRK2 Q16620 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ STAT6 P42226 1/20 0.40
▸ MERTK Q12866 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
SCHEMBL25669737 0.92 PKMYT1 (0.52) PKMYT1JAK2JAK3EGFRITK
SCHEMBL25670611 0.89 EGFR (0.46) PKMYT1JAK2JAK3JAK1EGFR
SCHEMBL31017359 0.89 EGFR (0.46) PKMYT1JAK2JAK3JAK1EGFR
SCHEMBL30465841 0.78 TYK2 (0.52) PKMYT1JAK2JAK1EGFRITK
SCHEMBL25670653 0.78 TYK2 (0.52) PKMYT1JAK2JAK1EGFRITK
SCHEMBL25670657 0.77 KAT2B (0.52) PKMYT1JAK2JAK1EGFRITK
SCHEMBL25670608 0.75 MAPT (0.47) EGFR
SCHEMBL25746683 0.71 CCNT1 (0.44) JAK2JAK3JAK1EGFRITK
SCHEMBL31017330 0.69 KAT2B (0.55) PKMYT1JAK1TYK2FLT3PTK2
SCHEMBL25670928 0.69 KAT2B (0.53) JAK2JAK1TYK2

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
WO-2023109120-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 — — WO disclosed
WO-2023108536-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 — — WO disclosed
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