SCHEMBL31333334

SCHEMBL31333334

COc1cc(-c2cccc(-c3nc(Cl)ncc3F)c2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
CYP19A1 P11511 1/20 0.41
ADORA2B P29275 1/20 0.39
TDO2 P48775 1/20 0.39
LRRK2 Q5S007 3/20 0.39
GRM5 P41594 1/20 0.38
IDO1 P14902 1/20 0.37
USP30 Q70CQ3 1/20 0.37
BACE1 P56817 1/20 0.37
KCNH2 Q12809 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
ADORA2A P29274 1/20 0.37
WNT3A P56704 1/20 0.36
NR4A2 P43354 1/20 0.36

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
SCHEMBL15577299 0.80 CLK4 (0.46) ADORA2BTDO2ADORA2ADYRK1AALDH1A1
SCHEMBL19078912 0.80 MAPT (0.42) MAPK13MAPK12MAPK11MAPK14ADORA2A
SCHEMBL31334102 0.80 MAPT (0.42) MAPK13MAPK12MAPK11MAPK14ADORA2A
SCHEMBL31333863 0.78 ALOX5AP (0.47) USP30DHODHALDH1A1GAA
SCHEMBL31333468 0.77 BTK (0.38) CNR1
SCHEMBL15229110 0.76 ADORA2B (0.44) MAPK13MAPK12MAPK11MAPK14ADORA2B
SCHEMBL15577176 0.75 BTK (0.46) MAPK13MAPK12MAPK11MAPK14ADORA2B
SCHEMBL24970292 0.73 ALDH1A1 (0.45) GRM5ALDH1A1GAA
SCHEMBL15534139 0.73 ALDH1A1 (0.51) ALDH1A1GAA
SCHEMBL13120752 0.73 BIRC5 (0.42) IDO1GABRA1GABRG2GABRB3ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed