SCHEMBL7005022

SCHEMBL7005022

Cc1c(-c2ccncc2)nc2n(c1=O)C(C)CCN2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
GSK3B P49841 3/20 0.34
KDM5B Q9UGL1 2/20 0.33
CDC7 O00311 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
RPS6KA3 P51812 3/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CSNK1E P49674 1/20 0.31
LATS1 O95835 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
RPS6KA2 Q15349 4/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31

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
SCHEMBL4865666 0.74 KDM4E (0.49) PARP10PARP11KDM5BCDC7
SCHEMBL8232684 0.65 ATR (0.46) GSK3B
SCHEMBL20878647 0.64 RPS6KA3 (0.34) RPS6KA3RPS6KA2
SCHEMBL4868960 0.62 MAPK14 (0.36) CDC7RPS6KA3CSNK1A1CSNK1DCSNK1E
SCHEMBL31728442 0.61 NSD3 (0.40) CDC7CSNK1E
SCHEMBL7005018 0.60 KDM4C (0.36) KDM4CGAAHTT
SCHEMBL4826999 0.60 ALDH1A1 (0.49) KDM5BCDC7RPS6KA3PDE3BPDE3A
SCHEMBL832273 0.59 MAPT (0.36) HTTRPS6KA2
SCHEMBL27512259 0.59 KDM4C (0.48) GSK3BKDM4CCSNK1A1CSNK1DPDE3B
SCHEMBL4763499 0.58 KDM5A (0.34) KDM5BCDC7CSNK1ELATS1MAPK11

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-1340761-A1 Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1H)one derivatives SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
EP-1295885-A1 Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido(1,2-a)pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo(1,2-a)pyrimidin-5(1H)one derivatives SANOFI-SYNTHELABO (FR) 2003-03-26 EP disclosed