SCHEMBL8325684

SCHEMBL8325684

CCOc1cc2c(Nc3ccc(OC)cc3)c(C#N)cnc2nc1C

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 9/20 0.61
STK4 Q13043 1/20 0.58
EGFR P00533 7/20 0.53
ERBB2 P04626 7/20 0.53
RAF1 P04049 3/20 0.51
SRC P12931 4/20 0.50

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 SCHEMBL8561034 0.86 PDE4B (0.43) MAP2K1STK4EGFR
SCHEMBL8561356 0.86 PDE4B (0.44) MAP2K1STK4EGFR
Hydrochloric Acid SCHEMBL8564884 0.84 MAP2K1 (0.41) MAP2K1STK4EGFRERBB2
SCHEMBL8566080 0.84 PDE4B (0.43) MAP2K1STK4EGFRERBB2
SCHEMBL8563461 0.82 PDE4B (0.41) MAP2K1STK4
SCHEMBL8564146 0.81 CSF1R (0.50) STK4EGFRERBB2
SCHEMBL8559603 0.80 DHFR (0.41) MAP2K1STK4EGFR
SCHEMBL8563378 0.80 PDE4B (0.59)
SCHEMBL8565303 0.80 CSF1R (0.62) EGFRERBB2
SCHEMBL8559490 0.79 CSF1R (0.48)

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