SCHEMBL8577429

SCHEMBL8577429

CC(C)(C)NCc1cc(OC2CCNCC2)nc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 10/20 0.41
SYK P43405 3/20 0.40
LOX P28300 1/20 0.37
SLC6A4 P31645 2/20 0.35
TIPARP Q7Z3E1 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
CHEK1 O14757 1/20 0.34
AXL P30530 1/20 0.34
ROCK1 Q13464 1/20 0.33

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
SCHEMBL8547706 0.89 LOXL2 (0.41) LOXL2SYKLOXTIPARPPIM1
SCHEMBL8545951 0.88 LOXL2 (0.42) LOXL2SYKLOXSLC6A4TIPARP
SCHEMBL8544620 0.86 LOXL2 (0.41) LOXL2SYKLOXSLC6A4TIPARP
SCHEMBL6121329 0.82 LOXL2 (0.43) LOXL2SYKLOXSLC6A4TIPARP
SCHEMBL18522661 0.82 LOXL2 (0.42) LOXL2SYKLOXPIM1PIM3
SCHEMBL15390231 0.82 LOXL2 (0.44) LOXL2SYKLOXSLC6A4TIPARP
SCHEMBL8541968 0.82 LOXL2 (0.54) LOXL2LOXROCK1
SCHEMBL16532794 0.81 AXL (0.46) LOXL2SYKLOXPIM1PIM3
SCHEMBL16532797 0.81 AXL (0.46) LOXL2SYKLOXPIM1PIM3
SCHEMBL16532796 0.81 LOXL2 (0.40) LOXL2SYKLOXSLC6A4PIM1

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-2012068450-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2012-05-24 WO disclosed