SCHEMBL24615441

SCHEMBL24615441

O=C(C1CC1)N1C2CCC1CN(c1ccnc3[nH]c(-c4cnn(C(F)F)c4)nc13)C2

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 19/20 0.45
▸ TYK2 P29597 19/20 0.45
▸ JAK2 O60674 18/20 0.45
▸ JAK3 P52333 5/20 0.41
▸ EGFR P00533 1/20 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
SCHEMBL29772748 1.00 JAK1 (0.45) JAK1TYK2JAK2JAK3EGFR
SCHEMBL29772826 0.87 JAK2 (0.57) JAK1TYK2JAK2JAK3
SCHEMBL29772835 0.87 JAK2 (0.57) JAK1TYK2JAK2JAK3
SCHEMBL24615462 0.87 JAK2 (0.57) JAK1TYK2JAK2JAK3
SCHEMBL24615463 0.83 JAK1 (0.55) JAK1TYK2JAK2JAK3
SCHEMBL24615537 0.82 KIT (0.45) JAK1TYK2JAK2
SCHEMBL29772852 0.82 KIT (0.45) JAK1TYK2JAK2
SCHEMBL29772716 0.79 TYK2 (0.59) JAK1TYK2JAK2JAK3
SCHEMBL24615449 0.79 TYK2 (0.59) JAK1TYK2JAK2JAK3
SCHEMBL24615445 0.78 JAK1 (0.60) JAK1TYK2JAK2JAK3

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-2022150446-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2022-07-14 — — WO disclosed
Send feedback