SCHEMBL24615502

SCHEMBL24615502

Cn1ncc(-c2cc3c(N4CC5CCC(C4)N5C(=O)C4(F)CC4)ccnc3[nH]2)c1F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 15/20 0.48
▸ JAK2 O60674 14/20 0.48
▸ TYK2 P29597 14/20 0.48
▸ JAK3 P52333 5/20 0.48
▸ KDR P35968 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ CCNT1 O60563 4/20 0.34
▸ CDK9 P50750 4/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33

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
SCHEMBL24615492 0.85 JAK1 (0.50) JAK1JAK2TYK2JAK3KDR
SCHEMBL24615496 0.85 JAK2 (0.56) JAK1JAK2TYK2JAK3KDR
SCHEMBL29772796 0.84 JAK1 (0.46) JAK1JAK2TYK2JAK3CCNT1
SCHEMBL30669813 0.84 JAK1 (0.46) JAK1JAK2TYK2JAK3CCNT1
SCHEMBL24615244 0.82 JAK1 (0.36) JAK1JAK2TYK2CCNT1CDK9
SCHEMBL24615553 0.79 PBK (0.38) CCNT1CDK9DYRK1A
Hydrochloric Acid SCHEMBL29772786 0.79 PBK (0.38) CCNT1CDK9DYRK1A
SCHEMBL24615500 0.74 JAK1 (0.51) JAK1JAK2TYK2JAK3KDR
SCHEMBL24615619 0.73 JAK1 (0.56) JAK1JAK2TYK2JAK3KDR
SCHEMBL24615509 0.72 TYK2 (0.51) JAK1JAK2TYK2JAK3KDR

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