SCHEMBL9848533

SCHEMBL9848533

Cc1cn(Nc2ccnc(Cl)c2)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.66
SMARCA2 P51531 5/20 0.39
SMARCA4 P51532 5/20 0.39
KDM4E B2RXH2 1/20 0.35
NQO2 P16083 1/20 0.35
TRPA1 O75762 1/20 0.35
SRC P12931 1/20 0.34
TGFBR1 P36897 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM4 Q14833 1/20 0.33
PTK6 Q13882 1/20 0.32

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
SCHEMBL7611582 0.80 SLC6A2 (1.00) SLC6A2
SCHEMBL9445558 0.78 SLC6A2 (0.51) SLC6A2KDM4ENQO2MEN1KMT2A
Oxalic Acid SCHEMBL7610219 0.73 SLC6A2 (0.84) SLC6A2KDM4EMEN1KMT2A
SCHEMBL9445636 0.73 SLC6A2 (0.57) SLC6A2KDM4ENQO2MEN1KMT2A
Hydrochloric Acid SCHEMBL10403490 0.71 SLC6A2 (0.56) SLC6A2TGFBR1
SCHEMBL9445621 0.70 SLC6A2 (0.51) SLC6A2KDM4ENQO2MEN1KMT2A
SCHEMBL7612596 0.70 SLC6A2 (0.62) SLC6A2TGFBR1
SCHEMBL9445638 0.69 SLC6A2 (0.65) SLC6A2SRCTGFBR1MEN1KMT2A
Hydrochloric Acid SCHEMBL7614144 0.69 SLC6A2 (0.60) SLC6A2TGFBR1
SCHEMBL7232050 0.68 SLC6A2 (0.68) SLC6A2MEN1KMT2A

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
EP-0417584-A2 N-substituted-4-pyrimidinamines and -pyrimidindiamines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-03-20 EP claimed