SCHEMBL3497488

SCHEMBL3497488

NC1C(n2cnc3cnc(O)nc32)O[C@H](CO)[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ ADORA3 P0DMS8 3/20 0.57
▸ POLB P06746 1/20 0.57
▸ LMNA P02545 3/20 0.45
▸ NT5E P21589 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ ADORA2A P29274 2/20 0.45
▸ ADORA2B P29275 2/20 0.45
▸ DPP4 P27487 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ SLC28A1 O00337 1/20 0.45
▸ MAP3K7 O43318 1/20 0.45
▸ SLC28A2 O43868 1/20 0.45
▸ GAPDH P04406 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ STAT6 P42226 1/20 0.45
▸ PI4KA P42356 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL6687832 0.89 KDM4E (0.71) KDM4EPKMADORA3LMNANT5E
SCHEMBL5489450 0.82 ADORA3 (0.64) KDM4EPKMADORA3POLBADORA2A
SCHEMBL5489442 0.82 ADORA3 (0.64) KDM4EPKMADORA3POLBADORA2A
SCHEMBL14580421 0.82 ADORA3 (0.64) KDM4EPKMADORA3POLBADORA2A
SCHEMBL1507731 0.82 ADORA3 (0.64) KDM4EPKMADORA3POLBADORA2A
SCHEMBL25424615 0.82 ADORA3 (0.64) KDM4EPKMADORA3POLBADORA2A
SCHEMBL1494485 0.78 KDM4E (0.69) KDM4EPKMADORA3LMNANT5E
SCHEMBL23710624 0.78 KDM4E (0.69) KDM4EPKMADORA3LMNANT5E
SCHEMBL29471286 0.78 KDM4E (0.69) KDM4EPKMADORA3LMNANT5E
SCHEMBL1494490 0.78 KDM4E (0.69) KDM4EPKMADORA3LMNANT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100136693-A1 Mutants of Deoxycytidine Kinase Having Extended Enzymatic Activity INSTITUT PASTEUR AND THE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2010-06-03 — — US disclosed
US-7547513-B2 Mutants of deoxycytidine kinase having extended enzymatic activity INSTITUT PASTEUR (FR) 2009-06-16 — — US disclosed
US-20070037269-A1 Artificial in vivo evolution of protein X by complementation of a relative protein Y,X and Y both belonging to the same class of enzyme commission nomenclature or belonging to related classes, result in acquisition of thymidine kinase activity by DCK CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-02-15 — — US disclosed
Send feedback