SCHEMBL18752121

SCHEMBL18752121

NC(=O)c1nn(CCO)c2c1ccc1cnc(Oc3cccc([N+](=O)O)c3)nc12

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.34
TTK P33981 1/20 0.34
PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL9940662 0.92 AURKA (0.36) PIM1TTKPIM2
SCHEMBL9941211 0.88 PIM1 (0.36) PIM1TTKPIM2
SCHEMBL9941368 0.86 SCN9A (0.40) PIM1TTKPIM2
SCHEMBL9942368 0.84 PIM1 (0.35) PIM1TTKPIM2
SCHEMBL18752120 0.84 PIM1 (0.35) PIM1TTKPIM2
SCHEMBL10219356 0.83 PLK1 (0.41)
SCHEMBL9940571 0.80 CCNA2 (0.41)
SCHEMBL9940675 0.79 PIM1 (0.43) PIM1TTKPIM2
SCHEMBL9940573 0.76 PLK1 (0.41) PIM1TTKPIM2
SCHEMBL9940756 0.76 AURKA (0.38) PIM1TTKPIM2

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