SCHEMBL31541439

SCHEMBL31541439

C[C@H](O)c1ccnc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.50
AXL P30530 1/20 0.50
CIT O14578 6/20 0.48
NUDT1 P36639 3/20 0.45
ROCK1 Q13464 4/20 0.45
PRKD3 O94806 3/20 0.45
PRKACA P17612 3/20 0.45
PRKCQ Q04759 3/20 0.45
AURKB Q96GD4 3/20 0.45
MAP4K4 O95819 2/20 0.45
CSNK1A1 P48729 2/20 0.45
CDK9 P50750 2/20 0.45
PAK4 O96013 2/20 0.45
LTK P29376 2/20 0.45
GRK5 P34947 2/20 0.45
CDK8 P49336 2/20 0.45
CLK2 P49760 2/20 0.45
CDK7 P50613 2/20 0.45
RPS6KA3 P51812 2/20 0.45
PRKX P51817 2/20 0.45

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
SCHEMBL31541393 1.00 PRKCI (0.50) PRKCIAXLCITNUDT1ROCK1
SCHEMBL23021726 1.00 PRKCI (0.50) PRKCIAXLCITNUDT1ROCK1
SCHEMBL84365 0.85 PRKCI (0.53) PRKCIAXLCITNUDT1ROCK1
SCHEMBL8688105 0.82 PRKCI (0.55) PRKCIAXLCITNUDT1ROCK1
SCHEMBL31541422 0.82 PRKCI (0.55) PRKCIAXLCITNUDT1ROCK1
SCHEMBL8687438 0.82 CIT (0.59) PRKCIAXLCITNUDT1ROCK1
SCHEMBL24492983 0.82 PRKCI (0.50) PRKCIAXLCITNUDT1ROCK1
SCHEMBL12127209 0.80 NUDT1 (0.56) PRKCICITNUDT1ROCK1PRKD3
SCHEMBL23004035 0.79 PRKCI (0.47) PRKCIAXLCITNUDT1ROCK1
SCHEMBL14895899 0.79 IKBKB (0.49) PRKCIAXLCITNUDT1ROCK1

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-2025061029-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF 3H PHARMACEUTICALS CO., LTD. (CN) 2025-03-27 WO disclosed