SCHEMBL31325841

SCHEMBL31325841

Nc1nc(Nc2ccccc2)ncc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.59
AURKA O14965 4/20 0.58
KDR P35968 2/20 0.58
AURKB Q96GD4 2/20 0.58
GSK3A P49840 2/20 0.56
GSK3B P49841 2/20 0.56
MAP4K4 O95819 2/20 0.55
IRAK4 Q9NWZ3 2/20 0.55
CDC7 O00311 1/20 0.55
ROCK2 O75116 1/20 0.55
PIM1 P11309 1/20 0.55
PRKACA P17612 1/20 0.55
CDK7 P50613 1/20 0.55
CDK9 P50750 1/20 0.55
HIPK2 Q9H2X6 1/20 0.55
PTK2 Q05397 5/20 0.50
SYK P43405 2/20 0.50
IGF1R P08069 2/20 0.50
ULK2 Q8IYT8 1/20 0.50
PLK4 O00444 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
Hydrochloric Acid SCHEMBL15487712 0.83 ALOX15 (0.52) ULK1AURKAKDRAURKBGSK3A
SCHEMBL1916571 0.81 GSK3A (0.56) AURKAKDRAURKBGSK3AGSK3B
SCHEMBL13166508 0.79 PTK2 (0.71) ULK1AURKAKDRAURKBGSK3A
SCHEMBL20953571 0.78 RAB9A (0.59) AURKAKDRAURKBGSK3AGSK3B
SCHEMBL669825 0.76 ULK1 (0.61) ULK1GSK3AGSK3BMAP4K4IRAK4
SCHEMBL28223543 0.76 JAK2 (0.62) AURKAKDRAURKBGSK3AGSK3B
SCHEMBL10187855 0.76 BCL6 (0.53) AURKAKDRAURKBGSK3AGSK3B
SCHEMBL17547501 0.76 ULK1 (0.71) ULK1AURKAKDRAURKBSYK
SCHEMBL31725454 0.75 AURKA (0.54) ULK1AURKAKDRAURKBPTK2
SCHEMBL31725453 0.75 AURKA (0.54) ULK1AURKAKDRAURKBPTK2

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
CN-119499253-A Application of compound in inhibiting Aurora and JAK kinase family activity and in treating several tumors 贵州医科大学 2025-02-25 CN disclosed
CN-119499253-A Application of compound in inhibiting Aurora and JAK kinase family activity and in treating several tumors 贵州医科大学 2025-02-25 CN disclosed