SCHEMBL27387222

SCHEMBL27387222

CN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)N5CCC[C@@H]5C(F)(F)F)cc4)n3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.55
▸ LDLR P01130 1/20 0.55
▸ PCSK9 Q8NBP7 1/20 0.55
▸ JAK2 O60674 6/20 0.55
▸ JAK3 P52333 2/20 0.51
▸ CDK2 P24941 7/20 0.49
▸ FLT3 P36888 4/20 0.49
▸ GSK3B P49841 2/20 0.49
▸ PLK4 O00444 1/20 0.49
▸ CHEK1 O14757 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ LCK P06239 1/20 0.49
▸ CSF1R P07333 1/20 0.49
▸ ROS1 P08922 1/20 0.49
▸ FGFR1 P11362 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ FLT1 P17948 1/20 0.49
▸ FGFR3 P22607 1/20 0.49
▸ MARK3 P27448 1/20 0.49
▸ KDR P35968 1/20 0.49

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
SCHEMBL27387276 1.00 KIT (0.55) KITLDLRPCSK9JAK2JAK3
SCHEMBL30788203 1.00 KIT (0.55) KITLDLRPCSK9JAK2JAK3
SCHEMBL30788197 1.00 KIT (0.55) KITLDLRPCSK9JAK2JAK3
SCHEMBL27387226 0.91 JAK2 (0.62) KITJAK2JAK3FLT3PLK4
SCHEMBL30788201 0.82 JAK2 (0.65) KITJAK2JAK3CDK2FLT3
SCHEMBL27387206 0.82 JAK2 (0.65) KITJAK2JAK3CDK2FLT3
SCHEMBL27387208 0.82 JAK2 (0.65) KITJAK2JAK3CDK2FLT3
SCHEMBL30788209 0.82 JAK2 (0.65) KITJAK2JAK3CDK2FLT3
SCHEMBL34463169 0.82 JAK2 (0.65) KITLDLRPCSK9JAK2JAK3
SCHEMBL27387228 0.80 JAK2 (0.67) KITJAK2JAK3CDK2FLT3

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
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