SCHEMBL25860940

SCHEMBL25860940

Cc1ccc(-c2ccc3cn[nH]c3c2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.58
FGFR1 P11362 10/20 0.54
MAPK1 P28482 2/20 0.52
FGFR2 P21802 4/20 0.51
FGFR3 P22607 2/20 0.51
DYRK1A Q13627 2/20 0.50
PLK4 O00444 1/20 0.50
CHEK1 O14757 1/20 0.50
PDPK1 O15530 1/20 0.50
DYRK3 O43781 1/20 0.50
JAK2 O60674 1/20 0.50
ROCK2 O75116 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
ABL1 P00519 1/20 0.50
NTRK1 P04629 1/20 0.50
INSR P06213 1/20 0.50
FYN P06241 1/20 0.50
CDK1 P06493 1/20 0.50
RET P07949 1/20 0.50

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
SCHEMBL13115655 0.82 FGFR1 (0.71) FGFR1MAPK1FGFR2FGFR3DYRK1A
SCHEMBL20060303 0.77 KDM4E (0.59) FGFR1FGFR2FGFR3DYRK1ACHEK1
SCHEMBL12354 0.77 KDM4E (0.59) FGFR1FGFR2FGFR3DYRK1ACHEK1
SCHEMBL28201501 0.77 DYRK1A (0.53) FGFR1MAPK1DYRK1APLK4CHEK1
SCHEMBL20386108 0.77 FGFR1 (0.52) KDM1AFGFR1MAPK1FGFR2FGFR3
SCHEMBL6837194 0.77 KDM1A (0.70) KDM1AFGFR1MAPK1FGFR2FGFR3
SCHEMBL20929593 0.76 CCR1 (0.56) KDM1ACCR1CCR5CCR8HDAC6
SCHEMBL1318366 0.75 FGFR1 (0.55) KDM1AFGFR1MAPK1FGFR2FGFR3
SCHEMBL8264120 0.74 FGFR1 (0.70) FGFR1MAPK1FGFR2FGFR3DYRK1A
SCHEMBL28200925 0.74 FGFR1 (0.54) KDM1AFGFR1MAPK1FGFR2FGFR3

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-2023140640-A1 HETEROARYL DERIVATIVE AND USES THEREOF 한양대학교 산학협력단 2023-07-27 WO disclosed