SCHEMBL9942368

SCHEMBL9942368

Cn1nc(C(N)=O)c2ccc3cnc(Oc4cccc(N)c4)nc3c21.NC(=O)c1nn(CCO)c2c1ccc1cnc(Oc3cccc(N)c3)nc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.35
TTK P33981 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
AURKA O14965 2/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CCNA1 P78396 2/20 0.31
PLK1 P53350 1/20 0.30
FGFR1 P11362 1/20 0.30

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
SCHEMBL9941211 0.96 PIM1 (0.36) PIM1TTKPIM2FGFR1
SCHEMBL10220012 0.92 CCNA2 (0.34) PIM1TTKPIM2AURKACCNA2
SCHEMBL9941368 0.86 SCN9A (0.40) PIM1TTKPIM2CCNA2CDK2
SCHEMBL10219356 0.85 PLK1 (0.41) AURKACCNA2CDK2CCNA1PLK1
SCHEMBL18752120 0.85 PIM1 (0.35) PIM1TTKPIM2AURKACCNA2
SCHEMBL9940756 0.84 AURKA (0.38) PIM1TTKPIM2AURKACCNA2
SCHEMBL18752121 0.84 PIM1 (0.34) PIM1TTKPIM2
SCHEMBL9940662 0.83 AURKA (0.36) PIM1TTKPIM2AURKACCNA2
SCHEMBL15267961 0.83 MEN1 (0.37) PIM1TTKPIM2AURKACCNA2
SCHEMBL10215999 0.82 AURKA (0.38) PIM1TTKPIM2AURKACCNA2

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-2614065-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2013-07-17 EP disclosed
WO-2012080990-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-21 WO disclosed