SCHEMBL9937579

SCHEMBL9937579

[CH2]Cn1nc2c(ccc3cnc(SC)nc32)c1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.49
TTK P33981 8/20 0.49
PIM2 Q9P1W9 8/20 0.49
HASPIN Q8TF76 2/20 0.34
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL9937049 0.89 PIM1 (0.52) PIM1TTKPIM2HASPINKDM4E
Hydrochloric Acid SCHEMBL9937475 0.88 PIM1 (0.51) PIM1TTKPIM2HASPINKDM4E
SCHEMBL9937233 0.85 PIM1 (0.48) PIM1TTKPIM2HASPIN
SCHEMBL11023707 0.83 PIM1 (0.52) PIM1TTKPIM2ALDH1A1POLB
SCHEMBL9941041 0.81 PIM1 (0.53) PIM1TTKPIM2HASPINMEN1
SCHEMBL9937660 0.81 PIM1 (0.60) PIM1TTKPIM2
Hydrochloric Acid SCHEMBL9936599 0.80 PIM1 (0.59) PIM1TTKPIM2
SCHEMBL10218689 0.79 PIM1 (0.45) PIM1TTKPIM2
SCHEMBL18752168 0.77 PIM1 (0.44) PIM1TTKPIM2
SCHEMBL12466804 0.73 PIM1 (0.74) PIM1TTKPIM2HASPINKDM4E

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