SCHEMBL16360384

SCHEMBL16360384

O=C(O)N1CCC[C@@H](Nc2ncc3c(n2)-c2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C3)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.44
MAPK8 P45983 8/20 0.44
MAPK9 P45984 8/20 0.44
JUN P05412 4/20 0.44
CDK2 P24941 4/20 0.44
MAPK3 P27361 2/20 0.40
MAPK1 P28482 2/20 0.40
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
CCNK O75909 2/20 0.39
CDK12 Q9NYV4 2/20 0.39
GSK3B P49841 2/20 0.39
MAPK14 Q16539 2/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
CDK13 Q14004 1/20 0.39

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
SCHEMBL16360406 1.00 MAPK10 (0.44) MAPK10MAPK8MAPK9JUNCDK2
SCHEMBL2493168 0.90 MAPK1 (0.45) MAPK10MAPK8MAPK9JUNCDK2
SCHEMBL2492524 0.90 MAPK1 (0.45) MAPK10MAPK8MAPK9JUNCDK2
SCHEMBL2493170 0.90 MAPK1 (0.45) MAPK10MAPK8MAPK9JUNCDK2
SCHEMBL2492528 0.90 MAPK1 (0.45) MAPK10MAPK8MAPK9JUNCDK2
SCHEMBL2492527 0.90 MAPK1 (0.45) MAPK10MAPK8MAPK9JUNCDK2
SCHEMBL2489034 0.85 CDK2 (0.41) MAPK10MAPK8MAPK9JUNCDK2
SCHEMBL2488139 0.82 MAPK8 (0.46) MAPK10MAPK8MAPK9JUNCDK2
SCHEMBL2805602 0.81 FGFR1 (0.37) MAPK10MAPK8MAPK9JUNCDK2
SCHEMBL2804240 0.81 FGFR1 (0.37) MAPK10MAPK8MAPK9JUNCDK2

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
WO-2010078421-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F] ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO disclosed