SCHEMBL24249797

SCHEMBL24249797

CC(C)(O)C#Cc1cnc(N)c(-c2ccc3c(c2)C(=O)NC3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
NTRK2 Q16620 2/20 0.41
TYRO3 Q06418 1/20 0.41
FYN P06241 1/20 0.40
JAK2 O60674 1/20 0.40
NTRK1 P04629 1/20 0.40
MET P08581 1/20 0.40
FGFR1 P11362 1/20 0.40
PRKACA P17612 1/20 0.40
KDR P35968 1/20 0.40
MAP2K2 P36507 1/20 0.40
FLT3 P36888 1/20 0.40
GSK3B P49841 1/20 0.40
MAP2K1 Q02750 1/20 0.40
MST1R Q04912 1/20 0.40
NTRK3 Q16288 1/20 0.40
CAMK1D Q8IU85 1/20 0.40
BRAF P15056 1/20 0.39
BACE1 P56817 1/20 0.38

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
SCHEMBL16135651 0.88 CLK4 (0.44) CLK4DYRK1BNTRK2TYRO3FYN
SCHEMBL16154658 0.86 CLK4 (0.39) CLK4DYRK1BNTRK2TYRO3FYN
SCHEMBL16135661 0.74 CLK4 (0.44) CLK4DYRK1BNTRK2TYRO3FYN
SCHEMBL16154664 0.72 CLK4 (0.40) CLK4DYRK1BNTRK2TYRO3FYN
SCHEMBL24681043 0.69 FYN (0.64) FYN
SCHEMBL16133539 0.69 BRD4 (0.36) BACE1BACE2MAP3K14TNIK
SCHEMBL16135668 0.66 CLK4 (0.59) CLK4DYRK1BNTRK2TYRO3FYN
SCHEMBL18113045 0.66 PRKCI (0.49) CLK4NTRK1FLT3GSK3BBRAF
SCHEMBL13828402 0.64 PIK3CD (0.57) KDRBRAF
SCHEMBL29871724 0.63 CLK4 (0.49) CLK4DYRK1BNTRK2TYRO3FYN

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
EP-3954679-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS Gilead Sciences, Inc. (US) 2022-02-16 EP disclosed