SCHEMBL8326771

SCHEMBL8326771

CCOc1cc2c(Cl)c(C#N)cnc2nc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.42
EGFR P00533 4/20 0.40
ERBB2 P04626 4/20 0.40
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
XDH P47989 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
STK4 Q13043 1/20 0.35
MBOAT4 Q96T53 1/20 0.34
MAP2K1 Q02750 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8563128 0.82 KDM4E (0.37) KDM4EMAPK1MAPTTDP1SMN1; SMN2
SCHEMBL8563530 0.80 ALDH1A1 (0.35) KDM4EMAPTTDP1GAAL3MBTL1
SCHEMBL4742017 0.78 SRC (0.59) SRCEGFRERBB2STK4MAP2K1
SCHEMBL8326372 0.75 TSHR (0.40) KDM4ESMN1; SMN2GAA
SCHEMBL8326185 0.74 SLC2A1 (0.40)
SCHEMBL8327645 0.74 KMT2A (0.51) KDM4EMAPTTDP1GAA
SCHEMBL8325684 0.74 MAP2K1 (0.61) SRCEGFRERBB2STK4MAP2K1
SCHEMBL6381695 0.74 SRC (0.62) SRCEGFRERBB2
SCHEMBL5459297 0.74 SRC (0.62) SRCEGFRERBB2
SCHEMBL4865201 0.74 EGFR (0.55) SRCEGFRERBB2STK4

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