SCHEMBL20850992

SCHEMBL20850992

CC(C)(C)OC(=O)c1cc(Cl)ncc1Nc1ccc2c(ccn2Cc2cccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERBB4 Q15303 3/20 0.49
EGFR P00533 2/20 0.49
MAOB P27338 2/20 0.44
ERBB2 P04626 3/20 0.41
PPARG P37231 1/20 0.39
BRAF P15056 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
SYK P43405 1/20 0.39
MAPT P10636 1/20 0.39
PTK2 Q05397 1/20 0.38
P2RX7 Q99572 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL15712607 0.93 ERBB2 (0.48) ERBB4EGFRMAOBERBB2PPARG
SCHEMBL15712470 0.81 ERBB4 (0.52) ERBB4EGFRMAOBERBB2HSP90AA1
SCHEMBL15712887 0.80 ERBB2 (0.52) ERBB4EGFRMAOBERBB2PPARG
SCHEMBL15712824 0.76 EGFR (0.48) ERBB4EGFRMAOBERBB2SYK
SCHEMBL15712245 0.74 ERBB4 (0.47) ERBB4EGFRMAOBERBB2SYK
SCHEMBL916112 0.74 NAMPT (0.48) ERBB4EGFRMAOBMAPTPTK2
SCHEMBL31735391 0.73 BPTF (0.53) ERBB4EGFRMAOB
SCHEMBL15712265 0.71 ERBB4 (0.55) ERBB4EGFRMAOBERBB2SYK
SCHEMBL7807789 0.71 HDAC6 (0.52) ERBB4EGFRHSP90AA1HSP90B1
SCHEMBL15712246 0.70 NTSR1 (0.47) ERBB4EGFRMAOBERBB2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed