SCHEMBL7937484

SCHEMBL7937484

CCNc1nc(NCC)c2ncnc(NCC)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.39
MAP4K4 O95819 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
FFAR2 O15552 1/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
APP P05067 2/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
FLT3 P36888 1/20 0.35
PRKCD Q05655 1/20 0.35
CAMK2B Q13554 1/20 0.35
CAMK2G Q13555 1/20 0.35
CAMK2D Q13557 1/20 0.35
KHK P50053 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADORA2A P29274 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
SCHEMBL7937489 0.90 MAP4K4 (0.37) SLC29A1MAP4K4KDM4EFFAR2BCHE
SCHEMBL18806440 0.84 LMNA (0.50) SLC29A1LMNAGAAPOLBAPP
SCHEMBL7937472 0.83 SLC29A1 (0.51) SLC29A1LMNAPOLBAPPBCHE
SCHEMBL7930938 0.81 LMNA (0.41) MAP4K4LMNAKDM4EFFAR2ADORA1
SCHEMBL16094713 0.77 SLC29A1 (0.42) SLC29A1LMNAPOLBAPPBCHE
Hydrochloric Acid SCHEMBL16094548 0.76 SLC29A1 (0.41) SLC29A1LMNAPOLBAPPBCHE
SCHEMBL17494542 0.74 LMNA (0.61) SLC29A1LMNAGAAL3MBTL1CYP1A2
SCHEMBL16094412 0.73 SLC29A1 (0.42) SLC29A1LMNAPOLBAPPBCHE
SCHEMBL16094399 0.73 SLC29A1 (0.56) SLC29A1LMNAGAAPOLBAPP
SCHEMBL16094511 0.73 SLC29A1 (0.56) SLC29A1LMNAAPPBCHEACHE

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
US-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US disclosed