SCHEMBL8328855

SCHEMBL8328855

CCOc1cc2c(O)c(C(N)=O)cnc2nc1C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
TSHR P16473 2/20 0.39
NNMT P40261 1/20 0.38
IRAK4 Q9NWZ3 4/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL8324245 0.88 TSHR (0.42) DPP4TSHRLMNACYP3A4
SCHEMBL8326185 0.87 SLC2A1 (0.40) DPP4MKNK1MKNK2TSHRNNMT
SCHEMBL8322260 0.87 DPP4 (0.48) DPP4TSHR
SCHEMBL8562829 0.86 ALDH1A1 (0.38) DPP4TSHR
SCHEMBL8565727 0.80 KDM4E (0.33) DPP4TSHRMAPK1LMNACYP3A4
SCHEMBL8324234 0.79 DPP4 (0.51) DPP4TSHRLMNA
SCHEMBL27446746 0.78 TP53 (0.41) DPP4TSHR
SCHEMBL8326372 0.78 TSHR (0.40) DPP4TSHRHTTLMNA
SCHEMBL8561182 0.78 HSD17B10 (0.36) TSHRMAPK1HTTLMNACYP3A4
SCHEMBL8565303 0.77 CSF1R (0.62)

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 disclosed
US-5780482-A TREATING RHEUMATIC DISEASES KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705260-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1996-04-10 EP disclosed
WO-1995000511-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed