SCHEMBL8819945

SCHEMBL8819945

COc1ccc(-n2cc(C3=CCCC3)c3ncnc(O)c32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 4/20 0.36
LMNA P02545 2/20 0.36
FFAR2 O15552 2/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TP53 P04637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL8819471 0.87 PI4KA (0.46) MAPTKDM4EALDH1A1HTTLMNA
SCHEMBL8819985 0.85 NPC1 (0.39) MAPTALDH1A1HTTFFAR2PI4KA
SCHEMBL8820698 0.76 LIMK1 (0.37) FFAR2ABL1EGFRSRCKDR
SCHEMBL8819716 0.76 PI4KA (0.48) ALDH1A1HTTPI4KAPI4K2BPI4K2A
SCHEMBL8819948 0.74 PI4KA (0.36) MAPTKDM4EALDH1A1HTTLMNA
SCHEMBL8819676 0.73 PI4KA (0.47) ALDH1A1HTTFFAR2PI4KAPI4K2B
SCHEMBL8819671 0.71 EGFR (0.42) KDM4EALDH1A1FFAR2PI4KAPI4K2B
SCHEMBL8819680 0.69 SRC (0.36) KDM4EPI4KAPI4K2BPI4K2API4KB
SCHEMBL8819987 0.68 SRC (0.50) MAPTKDM4EALDH1A1HTTLMNA
SCHEMBL8819661 0.66 SRC (0.38) KDM4EFFAR2PI4KAPI4K2BPI4K2A

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