SCHEMBL30860950

SCHEMBL30860950

Cn1ncc2c(N)cc(F)cc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
MAPT P10636 3/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH1A3 P47895 1/20 0.33
BCDIN3D Q7Z5W3 1/20 0.32
HDAC3 O15379 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HTR2C P28335 4/20 0.31
HTR2A P28223 2/20 0.30
CDC7 O00311 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL4718490 1.00 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL614642 0.81 PTGER3 (0.36) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL30251519 0.81 PTGER3 (0.36) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL30861129 0.79 ADORA2A (0.39) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL27228033 0.79 ADORA2A (0.39) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL27228198 0.79 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL30860818 0.79 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL30855850 0.78 GAA (0.35) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL459070 0.78 IDO1 (0.42) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL15209635 0.78 GAA (0.35) PI4KAPI4K2BPI4K2API4KBMAPT

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-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed