SCHEMBL8819481

SCHEMBL8819481

COc1ccc(-n2cc(C3=C=CC=C3)c3ncnc(N)c32)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.46
PI4K2B Q8TCG2 2/20 0.46
PI4K2A Q9BTU6 2/20 0.46
PI4KB Q9UBF8 2/20 0.46
SRC P12931 11/20 0.43
ABL1 P00519 3/20 0.43
EGFR P00533 3/20 0.43
ABL2 P42684 3/20 0.43
KDR P35968 2/20 0.43
XDH P47989 1/20 0.40
CDK1 P06493 1/20 0.36
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33
NSD3 Q9BZ95 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL8819719 0.89 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8819948 0.87 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8819681 0.85 EGFR (0.42) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8819907 0.78 SRC (0.61) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8819507 0.77 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8819471 0.74 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8820539 0.74 SRC (0.50) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8819623 0.68 SRC (0.61) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL18292152 0.66 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8820549 0.65 SRC (0.53) PI4KAPI4K2BPI4K2API4KBSRC

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-1997049706-A1 SUBSTITUTED 7-AMINO-PYRROLO[3,2-d]PYRIMIDINES AND THE USE THEREOF NOVARTIS AG (CH) 1997-12-31 WO disclosed