SCHEMBL18752120

SCHEMBL18752120

CONc1cccc(Oc2ncc3ccc4c(C(N)=O)nn(CCO)c4c3n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.35
TTK P33981 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
AURKA O14965 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
PLK1 P53350 1/20 0.35
SYK P43405 2/20 0.33
PIK3CA P42336 1/20 0.33
PDE4B Q07343 5/20 0.33
PDE4A P27815 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.87 PIM1 (0.36) PIM1TTKPIM2
SCHEMBL9941368 0.86 SCN9A (0.40) PIM1TTKPIM2CCNA2CDK2
SCHEMBL9942368 0.85 PIM1 (0.35) PIM1TTKPIM2AURKACCNA2
SCHEMBL18752121 0.84 PIM1 (0.34) PIM1TTKPIM2
SCHEMBL10219356 0.84 PLK1 (0.41) AURKACCNA2CDK2CCNA1PLK1
SCHEMBL9940662 0.83 AURKA (0.36) PIM1TTKPIM2AURKACCNA2
SCHEMBL9940675 0.82 PIM1 (0.43) PIM1TTKPIM2AURKACCNA2
SCHEMBL9940573 0.77 PLK1 (0.41) PIM1TTKPIM2AURKACCNA2
SCHEMBL9940756 0.77 AURKA (0.38) PIM1TTKPIM2AURKACCNA2
SCHEMBL10220012 0.76 CCNA2 (0.34) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614065-B1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-04-19 EP disclosed