SCHEMBL2450331

SCHEMBL2450331

CCN(CC1CCCO1)c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(C(CO)[C@H](O)CN1CCc3nc(Nc4ccc(-c5cnco5)cc4)nc(NCC4CCCO4)c3C1)CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
RECQL P46063 2/20 0.34
BLM P54132 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TNK2 Q07912 12/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
CHEK1 O14757 1/20 0.33
JAK2 O60674 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 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
SCHEMBL2450336 0.88 TNK2 (0.38) MAPTMAPK1RECQLBLMNPSR1
SCHEMBL2450333 0.88 TNK2 (0.38) MAPTMAPK1RECQLBLMNPSR1
SCHEMBL2444124 0.83 BRD4 (0.35) TNK2CHEK1JAK2ABL1LCK
SCHEMBL8261929 0.81 MAPK1 (0.43) MAPTMAPK1RECQLBLMNPSR1
SCHEMBL2446870 0.79 ROCK2 (0.36) TNK2CHEK1JAK2ABL1LCK
SCHEMBL2448242 0.79 TNK2 (0.43) MAPTMAPK1RECQLBLMNPSR1
SCHEMBL2448252 0.79 TNK2 (0.43) MAPTMAPK1RECQLBLMNPSR1
SCHEMBL2450612 0.79 CREBBP (0.41) TNK2SYK
SCHEMBL2450329 0.78 BRD4 (0.32) TNK2TRPV1SYK
SCHEMBL2449021 0.76 TNK2 (0.49) MAPTMAPK1RECQLBLMNPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed