SCHEMBL19117462

SCHEMBL19117462

Bc1nc(C)nc2c1cnn2C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 10/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 1/20 0.36
HTR2C P28335 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL10307718 0.82 PDE2A (0.43) PDE2AKMT2AMEN1PI4KAPI4K2B
SCHEMBL31391465 0.80 PDE2A (0.42) PDE2AKMT2AMEN1PI4KAPI4K2B
SCHEMBL25746365 0.80 PDE2A (0.42) PDE2AKMT2AMEN1PI4KAPI4K2B
SCHEMBL4409891 0.78 PI4KA (0.55) PDE2AKMT2AMEN1PI4KAPI4K2B
SCHEMBL18343699 0.78 PDE2A (0.49) PDE2AKMT2AMEN1PI4KAPI4K2B
SCHEMBL6342897 0.78 PDE2A (0.41) PDE2AKMT2AMEN1PI4KAPI4K2B
SCHEMBL26817446 0.76 PDE2A (0.42) PDE2AKMT2AMEN1PI4KAPI4K2B
SCHEMBL21818491 0.73 ATAD2 (0.44) PDE2AKMT2AMEN1PI4KAPI4K2B
SCHEMBL31133306 0.73 ATAD2 (0.44) PDE2AKMT2AMEN1PI4KAPI4K2B
SCHEMBL31249005 0.70 HRH4 (0.51) KMT2AMEN1ALDH1A1HRH1HRH4

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
WO-2017120429-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmasciences, Inc. (US) 2017-07-13 WO disclosed