SCHEMBL27387131

SCHEMBL27387131

Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1-c1ccc(C(=O)NCC#N)cc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 3/20 0.70
▸ JAK2 O60674 12/20 0.68
▸ JAK3 P52333 12/20 0.68
▸ JAK1 P23458 6/20 0.61
▸ CDK1 P06493 1/20 0.51
▸ KDR P35968 1/20 0.51

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
SCHEMBL13644150 0.85 AXL (0.73) AXLJAK2JAK3JAK1CDK1
SCHEMBL27387022 0.83 JAK2 (0.57) AXLJAK2JAK3JAK1KDR
SCHEMBL30788193 0.83 JAK2 (0.57) AXLJAK2JAK3JAK1KDR
SCHEMBL12813273 0.82 AXL (1.00) AXLJAK2JAK3JAK1CDK1
SCHEMBL22098049 0.81 JAK2 (0.68) JAK2JAK3JAK1KDR
SCHEMBL3620070 0.81 JAK2 (1.00) JAK2JAK3JAK1
SCHEMBL12813489 0.81 AXL (0.77) AXLJAK2CDK1KDR
SCHEMBL12964739 0.80 AXL (0.80) AXLCDK1KDR
SCHEMBL12964726 0.80 AXL (0.70) AXLJAK2JAK3JAK1CDK1
SCHEMBL2866901 0.80 JAK2 (0.81) JAK2JAK3JAK1

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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