SCHEMBL856588

SCHEMBL856588

Nc1nccc(-c2cnc(N)nc2-c2cnc3ccccc3c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.49
PIK3C2G O75747 1/20 0.49
CDKL5 O76039 1/20 0.49
PIM1 P11309 1/20 0.49
TYK2 P29597 1/20 0.49
CLK2 P49760 1/20 0.49
DYRK1A Q13627 1/20 0.49
STK32B Q9NY57 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
IRAK3 Q9Y616 1/20 0.49
ADORA1 P30542 9/20 0.49
ADORA2A P29274 7/20 0.49
FEN1 P39748 1/20 0.48
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
HSP90AA1 P07900 2/20 0.45
AURKA O14965 1/20 0.45
PRKACA P17612 1/20 0.45
CCNT1 O60563 2/20 0.44
CCNA2 P20248 2/20 0.44

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
SCHEMBL856589 0.82 ADORA1 (0.58) BMPR1BPIK3C2GCDKL5PIM1TYK2
SCHEMBL17610545 0.74 ADORA2A (0.68) BMPR1BPIK3C2GCDKL5PIM1TYK2
SCHEMBL9956071 0.73 ADORA1 (0.64) PIM1CLK2ADORA1ADORA2AFEN1
SCHEMBL29818168 0.73 PDGFRB (0.62) BMPR1BPIK3C2GCDKL5PIM1TYK2
SCHEMBL17610508 0.72 MGAM (0.50) BMPR1BPIK3C2GCDKL5PIM1TYK2
SCHEMBL17610492 0.72 IKBKB (0.49) BMPR1BPIK3C2GCDKL5PIM1TYK2
SCHEMBL23275774 0.69 CDK5 (0.44) PIM1DYRK1AADORA1ADORA2AHSP90AA1
SCHEMBL2772360 0.69 PDGFRB (0.77) PDGFRBPDGFRACYP2A6
SCHEMBL32667946 0.69 PDGFRB (0.77) PDGFRBPDGFRACYP2A6
SCHEMBL13197745 0.68 PDGFRB (0.59) BMPR1BPIK3C2GCDKL5PIM1TYK2

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-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 EP disclosed