SCHEMBL4164609

SCHEMBL4164609

CCc1c(-c2ccccc2)c(N)nn1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.48
DHFR P00374 2/20 0.46
HEXA P06865 1/20 0.46
HEXB P07686 1/20 0.46
POLB P06746 2/20 0.44
CDK8 P49336 1/20 0.44
ACVR1 Q04771 1/20 0.44
GSK3B P49841 1/20 0.42
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AKT2 P31751 1/20 0.39
KMT2A Q03164 1/20 0.39
USP7 Q93009 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL23400366 0.79 GRIA2 (0.43) MAPTDHFRHEXAHEXBPOLB
SCHEMBL15730775 0.76 POLB (0.63) MAPTLMNAPOLBKDM4ENPC1
SCHEMBL4163849 0.74 POLB (0.40) MAPTLMNADHFRHEXAHEXB
SCHEMBL4164612 0.69 POLB (0.46) MAPTLMNADHFRHEXAHEXB
SCHEMBL23398949 0.69 RECQL (0.47) MAPTLMNAPOLBCDK8GSK3B
SCHEMBL8041067 0.69 GAA (0.38) GAAKMT2A
SCHEMBL28281340 0.69 GAA (0.47) GAAKMT2A
SCHEMBL8041064 0.67 GSK3B (0.46) MAPTLMNAPOLBCDK8ACVR1
SCHEMBL23398991 0.67 MAPT (0.39) MAPTLMNAPOLBCDK8ACVR1
SCHEMBL1233348 0.66 TLR7 (0.50) LMNAPOLB

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-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed