SCHEMBL21784364

SCHEMBL21784364

CN1CC(CC#N)(N2CCC3(CC2)OCCO3)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.39
JAK2 O60674 2/20 0.31
ABL1 P00519 1/20 0.31
KDR P35968 1/20 0.31
STAT3 P40763 1/20 0.31
GSK3B P49841 1/20 0.31
AURKB Q96GD4 1/20 0.31
KMT2A Q03164 1/20 0.31
JAK1 P23458 1/20 0.30

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
SCHEMBL21784366 0.79 KDM1A (0.38) KDM1AJAK2JAK1
SCHEMBL21775669 0.76 JAK1 (0.42) JAK2JAK1
SCHEMBL21320729 0.72 KDM1A (0.50) KDM1A
SCHEMBL21320568 0.69 KDM1A (0.62) KDM1A
SCHEMBL254096 0.67 KMT2A (0.40) KMT2A
SCHEMBL25642115 0.66
SCHEMBL9040831 0.66 KDM1A (0.41) KDM1A
SCHEMBL6926702 0.65 KDM4E (0.35) KMT2A
SCHEMBL21320628 0.65 KDM1A (0.52) KDM1A
SCHEMBL18820103 0.64 KDM1A (0.66) KDM1A

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-2020047198-A1 SALTS OF AN LSD1 INHIBITOR AND PROCESSES FOR PREPARING THE SAME INCYTE CORPORATION (US) 2020-03-05 WO disclosed