SCHEMBL8544620

SCHEMBL8544620

CCNCc1cc(OC2CCNCC2)nc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 10/20 0.41
SYK P43405 1/20 0.38
LOX P28300 1/20 0.37
AXL P30530 1/20 0.35
PIM1 P11309 2/20 0.34
KDM1A O60341 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
SLC6A4 P31645 2/20 0.33
TIPARP Q7Z3E1 1/20 0.32

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
SCHEMBL8545951 0.88 LOXL2 (0.42) LOXL2SYKLOXAXLPIM1
SCHEMBL18522661 0.86 LOXL2 (0.42) LOXL2SYKLOXAXLPIM1
SCHEMBL8577429 0.86 LOXL2 (0.41) LOXL2SYKLOXAXLPIM1
SCHEMBL16532794 0.86 AXL (0.46) LOXL2SYKLOXAXLPIM1
SCHEMBL16532797 0.86 AXL (0.46) LOXL2SYKLOXAXLPIM1
SCHEMBL25800445 0.84 LOXL2 (0.39) LOXL2SYKLOXAXLPIM1
SCHEMBL25800427 0.84 AXL (0.38) LOXL2SYKLOXAXLPIM1
SCHEMBL21468579 0.84 AXL (0.39) LOXL2SYKLOXAXLPIM1
SCHEMBL8542025 0.83 LOXL2 (0.40) LOXL2SYKLOXAXLPIM1
SCHEMBL8547706 0.82 LOXL2 (0.41) LOXL2SYKLOXAXLPIM1

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