SCHEMBL19001540

SCHEMBL19001540

Cc1cc(I)cc2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.55
CCR8 P51685 5/20 0.55
DYRK1A Q13627 1/20 0.49
CCR5 P51681 3/20 0.49
PSMD14 O00487 2/20 0.49
COPS5 Q92905 2/20 0.49
PRMT5 O14744 1/20 0.47
LMNA P02545 2/20 0.47
HSP90AA1 P07900 2/20 0.45
MMP2 P08253 2/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GMNN O75496 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
MMP9 P14780 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL874272 0.80 PSMD14 (0.67) CCR1CCR8DYRK1ACCR5PSMD14
SCHEMBL19001628 0.80 KDM4E (0.48) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL12093369 0.78 CCR1 (0.56) CCR1CCR8DYRK1ACCR5PSMD14
SCHEMBL22270741 0.77 CCR1 (0.55) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL22271011 0.77 CCR1 (0.45) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL20180977 0.77 KDM4E (0.57) CCR1CCR8CCR5LMNAHSP90AA1
SCHEMBL2938512 0.77 LMNA (0.56) CCR1CCR8DYRK1ACCR5PSMD14
SCHEMBL5544307 0.77 CCR1 (0.55) CCR1CCR8DYRK1ACCR5PSMD14
SCHEMBL7450182 0.77 CCR1 (0.55) CCR1CCR8DYRK1ACCR5PSMD14
SCHEMBL5544300 0.77 CCR1 (0.55) CCR1CCR8DYRK1ACCR5PSMD14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210257559-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-08-19 US disclosed
US-20170179401-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed