SCHEMBL3264099

SCHEMBL3264099

Cn1ncc2c(-c3cccc(C(N)=O)c3N)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRKCA P17252 1/20 0.38
PRKCQ Q04759 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3264097 0.83 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL23996466 0.80 DAPK3 (0.54) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL3260282 0.75 BTK (0.47) PI4KAPI4K2BPI4K2API4KBPRKCQ
SCHEMBL23996467 0.72 SIGMAR1 (0.60) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL21851685 0.69 TP53 (0.56) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL27955516 0.68 SIGMAR1 (0.69)
SCHEMBL31243828 0.67 SYK (0.43) KDM4EALDH1A1TDP1
SCHEMBL23996445 0.66 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL4334242 0.66 NR3C1 (0.56) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL745097 0.65 RET (0.43) PI4KAPI4K2BPI4K2API4KBLMNA

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
WO-2010011620-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-28 WO claimed
WO-2010011620-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-28 WO disclosed