SCHEMBL3126971

SCHEMBL3126971

CN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NCC3CCOCC3)c2C1.OCCN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NCC3CCOCC3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.40
SYK P43405 3/20 0.38
TRPV1 Q8NER1 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
MET P08581 1/20 0.36
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36
ROCK2 O75116 4/20 0.35
JAK3 P52333 2/20 0.35
JAK2 O60674 2/20 0.35
KCNH3 Q9ULD8 1/20 0.35
TNK2 Q07912 4/20 0.33
CHEK1 O14757 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
ROS1 P08922 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
TYK2 P29597 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
SCHEMBL2447183 0.96 SYK (0.40) PRKCQSYKTRPV1BRD4CREBBP
SCHEMBL2447413 0.93 PRKCQ (0.45) PRKCQSYKTRPV1BRD4CREBBP
SCHEMBL3126963 0.93 PRKCQ (0.36) PRKCQSYKTRPV1BRD4CREBBP
SCHEMBL2448252 0.85 TNK2 (0.43) SYKJAK2KCNH3TNK2CHEK1
SCHEMBL2448242 0.85 TNK2 (0.43) SYKJAK2KCNH3TNK2CHEK1
SCHEMBL2453169 0.84 CREBBP (0.44) PRKCQSYKTRPV1BRD4CREBBP
SCHEMBL2449021 0.82 TNK2 (0.49) PRKCQJAK2KCNH3TNK2CHEK1
SCHEMBL2449020 0.82 TNK2 (0.49) PRKCQJAK2KCNH3TNK2CHEK1
SCHEMBL2848425 0.82 TNK2 (0.49) PRKCQJAK2KCNH3TNK2CHEK1
SCHEMBL2447187 0.81 BRD4 (0.37) SYKTRPV1BRD4CREBBPROCK2

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-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed