SCHEMBL3265360

SCHEMBL3265360

Cc1cc(Nc2nc(C(OC(F)C(F)F)c3ccc(F)cc3)nn3cccc23)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.49
CYP3A4 P08684 3/20 0.47
CYP2C8 P10632 3/20 0.47
CYP2C9 P11712 3/20 0.47
JAK1 P23458 3/20 0.47
TYK2 P29597 3/20 0.47
CYP2C19 P33261 3/20 0.47
JAK3 P52333 3/20 0.47
ADORA3 P0DMS8 2/20 0.47
CYP1A2 P05177 1/20 0.47
AURKA O14965 4/20 0.43
AURKB Q96GD4 4/20 0.43
HDAC1 Q13547 1/20 0.43
AURKC Q9UQB9 1/20 0.43

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
SCHEMBL12102775 0.89 JAK2 (0.52) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL1298782 0.87 JAK2 (0.52) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL1299147 0.87 JAK2 (0.51) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL1299128 0.86 JAK2 (0.49) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL12102307 0.86 JAK2 (0.54) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL13521304 0.85 JAK2 (0.50) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL13521286 0.85 JAK2 (0.50) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL1299226 0.84 JAK2 (0.51) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL12102727 0.84 JAK2 (0.49) JAK2CYP3A4CYP2C8CYP2C9JAK1
SCHEMBL1298478 0.84 JAK2 (0.48) JAK2CYP3A4CYP2C8CYP2C9JAK1

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-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO claimed