SCHEMBL29772862

SCHEMBL29772862

COc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 6/20 0.44
JAK2 O60674 5/20 0.44
TYK2 P29597 5/20 0.44
JAK3 P52333 3/20 0.42
KIT P10721 3/20 0.40
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
ACVR1 Q04771 1/20 0.34
ACACB O00763 1/20 0.34
RET P07949 1/20 0.34
ACVR2A P27037 3/20 0.34
TGFBR2 P37173 3/20 0.34
TGFBR1 P36897 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HPGDS O60760 1/20 0.34
IDH1 O75874 1/20 0.34
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL24615583 1.00 JAK1 (0.44) JAK1JAK2TYK2JAK3KIT
SCHEMBL29772821 0.90 JAK1 (0.40) JAK1JAK2TYK2JAK3KIT
SCHEMBL24615598 0.90 JAK1 (0.42) JAK1JAK2TYK2JAK3KIT
SCHEMBL24615410 0.89 TYK2 (0.45) JAK1JAK2TYK2JAK3KIT
SCHEMBL24615420 0.88 TYK2 (0.41) JAK1JAK2TYK2JAK3KIT
SCHEMBL24615424 0.87 TYK2 (0.41) JAK1JAK2TYK2JAK3KIT
SCHEMBL24615595 0.87 KIT (0.51) JAK1JAK2TYK2JAK3KIT
SCHEMBL24615407 0.86 TYK2 (0.46) JAK1JAK2TYK2JAK3KIT
SCHEMBL24615600 0.86 JAK1 (0.40) JAK1JAK2TYK2JAK3KIT
SCHEMBL24615408 0.85 TYK2 (0.42) JAK1JAK2TYK2JAK3KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117098763-A TYK2 inhibitors 渤健马萨诸塞州股份有限公司 2023-11-21 CN disclosed
EP-4274832-A1 TYK2 INHIBITORS Biogen MA Inc. (US) 2023-11-15 EP disclosed
WO-2022150446-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2022-07-14 WO disclosed