SCHEMBL12801566

SCHEMBL12801566

CCNC(=O)c1snnc1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
GAA P10253 5/20 0.51
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.50
BRD4 O60885 1/20 0.48
ALDH1A1 P00352 5/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 4/20 0.47
AGTR1 P30556 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL6361527 0.86 LMNA (0.50) LMNAGAATDP1ATMBRD4
SCHEMBL11539400 0.83 LMNA (0.48) LMNAGAATDP1ATMBRD4
SCHEMBL108862 0.81 LMNA (0.56) LMNAGAATDP1ALDH1A1USP2
SCHEMBL24724656 0.81 GAA (0.49) LMNAGAATDP1ATMBRD4
SCHEMBL11536851 0.81 ALDH1A1 (0.49) LMNAGAATDP1ATMBRD4
SCHEMBL11535313 0.80 ALDH1A1 (0.48) LMNAGAATDP1ATMBRD4
SCHEMBL5780754 0.80 GAA (0.48) LMNAGAATDP1ATMBRD4
SCHEMBL11536831 0.80 POLB (0.58) LMNAGAATDP1ATMBRD4
SCHEMBL11276698 0.79 LMNA (0.57) LMNAGAATDP1ALDH1A1USP2
SCHEMBL12292649 0.79 LMNA (0.57) LMNAGAATDP1ALDH1A1USP2

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-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed