SCHEMBL7835366

SCHEMBL7835366

Cc1nc(Nc2ccc(F)cc2F)nc(N2CCc3cc(F)ccc3C2C)c1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
APP P05067 1/20 0.35
P2RX7 Q99572 7/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EGFR P00533 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRM1 P35372 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 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
Hydrochloric Acid SCHEMBL6160447 0.99 POLB (0.37) POLBAPPP2RX7GAAL3MBTL1
SCHEMBL7837719 0.92 MAP4K1 (0.37) POLBAPPALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL6159322 0.91 MAP4K1 (0.37) POLBAPPALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL7159588 0.91 POLB (0.36) POLBAPPP2RX7GAAL3MBTL1
Hydrochloric Acid SCHEMBL6158437 0.91 GALR2 (0.34) P2RX7ALDH1A1
Hydrochloric Acid SCHEMBL6158464 0.91 POLB (0.37) POLBAPPP2RX7GAAL3MBTL1
SCHEMBL7831079 0.88 MAP4K1 (0.36) NPC1RAB9AKMT2A
SCHEMBL6158156 0.88 KMT2A (0.40) APPGAAL3MBTL1MAPK1KMT2A
Hydrochloric Acid SCHEMBL6160999 0.87 MAP4K1 (0.35) NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL6157511 0.87 KMT2A (0.39) APPGAAL3MBTL1MAPK1KMT2A

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-1131312-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2001-09-12 EP disclosed
WO-2000029403-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2000-05-25 WO disclosed