SCHEMBL27387217

SCHEMBL27387217

CN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)NCC(F)(F)F)cc4)n3)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.64
▸ JAK3 P52333 5/20 0.64
▸ KIT P10721 2/20 0.61
▸ LDLR P01130 1/20 0.61
▸ PCSK9 Q8NBP7 1/20 0.61
▸ CDC7 O00311 1/20 0.53
▸ CDK19 Q9BWU1 1/20 0.53
▸ CDK2 P24941 5/20 0.52
▸ FLT3 P36888 4/20 0.52
▸ SRC P12931 2/20 0.52
▸ SYK P43405 2/20 0.52
▸ PLK4 O00444 2/20 0.52
▸ PRKD3 O94806 2/20 0.52
▸ MARK3 P27448 2/20 0.52
▸ GSK3B P49841 2/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ PDGFRB P09619 1/20 0.52
▸ BCR P11274 1/20 0.52
▸ PDGFRA P16234 1/20 0.52
▸ CHEK1 O14757 1/20 0.52

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
SCHEMBL30788196 1.00 JAK2 (0.64) JAK2JAK3KITLDLRPCSK9
SCHEMBL27387219 0.90 JAK2 (0.77) JAK2JAK3CDK2PLK4PRKD3
SCHEMBL27387230 0.89 JAK2 (0.61) JAK2JAK3KITLDLRPCSK9
SCHEMBL34463169 0.85 JAK2 (0.65) JAK2JAK3KITLDLRPCSK9
SCHEMBL34463164 0.82 KIT (0.61) JAK2JAK3KITLDLRPCSK9
SCHEMBL27387032 0.80 JAK2 (0.75) JAK2JAK3CDK2PLK4PRKD3
SCHEMBL30788203 0.80 KIT (0.55) JAK2JAK3KITLDLRPCSK9
SCHEMBL27387222 0.80 KIT (0.55) JAK2JAK3KITLDLRPCSK9
SCHEMBL30788197 0.80 KIT (0.55) JAK2JAK3KITLDLRPCSK9
SCHEMBL27387276 0.80 KIT (0.55) JAK2JAK3KITLDLRPCSK9

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-2024035771-A2 ULK3 INHIBITORS AND USES THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-02-15 — — WO disclosed
Send feedback