SCHEMBL8325406

SCHEMBL8325406

CCOc1cc2c(Nc3ccc(Oc4ccccn4)cc3)ccnc2nc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
ERBB2 P04626 1/20 0.41
EGFR P00533 1/20 0.39
P2RX3 P56373 2/20 0.38
IGF1R P08069 1/20 0.38
HTT P42858 1/20 0.38
PTGS2 P35354 1/20 0.38
RAB9A P51151 1/20 0.38
PTK6 Q13882 1/20 0.37
FGFR2 P21802 1/20 0.37
POLB P06746 3/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 2/20 0.36
RAD52 P43351 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDR P35968 1/20 0.36
KDM4E B2RXH2 1/20 0.36
OPRM1 P35372 1/20 0.36

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 SCHEMBL8468831 0.98 PDE10A (0.42) PDE10AERBB2EGFRP2RX3IGF1R
SCHEMBL8560347 0.90 ERBB2 (0.52) ERBB2EGFRHTTRAB9APTK6
Hydrochloric Acid SCHEMBL8566240 0.89 ERBB2 (0.51) ERBB2EGFRHTTRAB9APTK6
SCHEMBL8559967 0.84 PDGFRA (0.48) EGFRHTTRAB9APTK6FGFR2
Water SCHEMBL8328226 0.83 PDGFRA (0.47) EGFRHTTRAB9APTK6FGFR2
Hydrochloric Acid SCHEMBL8566059 0.83 HTT (0.50) EGFRHTTRAB9APTK6FGFR2
SCHEMBL8567323 0.81 MAPKAPK2 (0.46) EGFRRAB9APTK6POLBTHRB
SCHEMBL8329674 0.80 MAPT (0.43) P2RX3PTGS2POLBMAPTRAD52
SCHEMBL8328406 0.80 PDE10A (0.46) PDE10AERBB2P2RX3IGF1RHTT
SCHEMBL8328461 0.79 MAPT (0.52) HTTPTGS2THRBMAPTGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP claimed
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP disclosed
US-5780482-A TREATING RHEUMATIC DISEASES KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
WO-1995000511-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed