SCHEMBL10377441

SCHEMBL10377441

CC(=O)c1cnc(-c2ccncc2)nc1-c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
LMNA P02545 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 4/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.39
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL11738224 0.85 MEN1 (0.70) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6016420 0.81 MEN1 (0.61) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL976186 0.77 MEN1 (0.65) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL5736742 0.74 ALDH1A1 (0.60) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL10375268 0.74 MAPT (0.52) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL17464251 0.72 ALDH1A1 (0.51) LMNAALDH1A1MAPTHTTPOLB
SCHEMBL11782992 0.72 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6016478 0.71 MEN1 (0.69) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6760385 0.71 ALDH1A1 (0.51) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL27576873 0.71 MEN1 (0.53) MEN1KMT2ALMNAALDH1A1MAPT

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
EP-0169712-B1 NEW PYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND COMPOSITION CONTAINING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4698340-A TREATMENT OF CEREBROVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US disclosed
EP-0169712-A2 New pyrimidine derivatives, processes for preparation thereof and composition containing the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-29 EP disclosed