SCHEMBL7000418

SCHEMBL7000418

CCCc1cc(N2CCc3ccccc3C2C)nc(Nc2ccc(F)cc2C)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 1/20 0.35
PIK3CA P42336 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
PIK3CG P48736 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A4 P31645 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
Hydrochloric Acid SCHEMBL6993369 0.99 GALR2 (0.35) GALR2PIK3CAALDH1A1MAPK1PIK3CG
SCHEMBL6995386 0.93 GALR2 (0.36) GALR2PIK3CAPIK3CG
Hydrochloric Acid SCHEMBL6993026 0.92 GALR2 (0.35) GALR2PIK3CAPIK3CG
Hydrochloric Acid SCHEMBL7001990 0.89 KMT2A (0.40) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL6989353 0.87 BLM (0.36) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL6991589 0.87 GALR2 (0.38) GALR2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6994782 0.86 KCNH3 (0.37) MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL6994764 0.86 GALR2 (0.37) GALR2ALDH1A1MEN1KMT2A
SCHEMBL6993893 0.83 EGFR (0.39) GALR2
SCHEMBL6996011 0.82 ALDH1A1 (0.36) ALDH1A1MAPK1KMT2A

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-0775120-B1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2003-06-04 EP claimed