Sugi Predict

Sugi Predict / Compounds / SCHEMBL3126963

SCHEMBL3126963

SCHEMBL3126963

CN(c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(CCO)CC2)C1CCOCC1.CN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NCC3CCOCC3)c2C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 1/20 0.36
▸ TRPV1 Q8NER1 2/20 0.35
▸ SYK P43405 2/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ MET P08581 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ ROCK2 O75116 4/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ KCNH3 Q9ULD8 1/20 0.30

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
SCHEMBL3126971 0.93 PRKCQ (0.40) PRKCQTRPV1SYKBRD4CREBBP
SCHEMBL2447187 0.90 BRD4 (0.37) TRPV1SYKBRD4CREBBPGPR119
SCHEMBL2447183 0.90 SYK (0.40) PRKCQTRPV1SYKBRD4CREBBP
SCHEMBL2447413 0.87 PRKCQ (0.45) PRKCQTRPV1SYKBRD4CREBBP
SCHEMBL2448247 0.81 BRD4 (0.37) PRKCQTRPV1SYKBRD4CREBBP
SCHEMBL2450333 0.80 TNK2 (0.38) PRKCQSYKBRD4CREBBPJAK2
SCHEMBL2450336 0.80 TNK2 (0.38) PRKCQSYKBRD4CREBBPJAK2
SCHEMBL2448242 0.79 TNK2 (0.43) SYKJAK2KCNH3
SCHEMBL2448252 0.79 TNK2 (0.43) SYKJAK2KCNH3
SCHEMBL2453164 0.79 CREBBP (0.44) TRPV1SYKBRD4CREBBPGPR119

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