SCHEMBL19009470

SCHEMBL19009470

c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(-c6ccccn6)cn5)ccc3-4)nc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.57
CNR2 P34972 1/20 0.43
CYP2A6 P11509 1/20 0.42
CHEK2 O96017 1/20 0.41
WNT3A P56704 4/20 0.41
HPGDS O60760 1/20 0.40
ABL1 P00519 1/20 0.38
NPY5R Q15761 1/20 0.38
P4HTM Q9NXG6 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
METAP1 P53582 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
DOHH Q9BU89 1/20 0.37

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
SCHEMBL19164310 0.99 PDK2 (0.56) PDK2CNR2CYP2A6CHEK2WNT3A
SCHEMBL23432167 0.96 PDK2 (0.53) PDK2CNR2CYP2A6CHEK2WNT3A
SCHEMBL14580661 0.92 PDK2 (0.64) PDK2CNR2CYP2A6NPY5RP4HTM
SCHEMBL18101984 0.91 PDK2 (0.50) PDK2CNR2CYP2A6CHEK2HPGDS
SCHEMBL19164579 0.90 PDK2 (0.49) PDK2CNR2CYP2A6CHEK2HPGDS
SCHEMBL20734552 0.90 PDK2 (0.51) PDK2CNR2CYP2A6CHEK2WNT3A
SCHEMBL12133689 0.90 PDK2 (0.47) PDK2CNR2CYP2A6CHEK2WNT3A
SCHEMBL15977727 0.89 PDK2 (0.47) PDK2CNR2CYP2A6CHEK2WNT3A
SCHEMBL19164551 0.86 PDK2 (0.51) PDK2CNR2CYP2A6CHEK2WNT3A
SCHEMBL21868015 0.85 PDK2 (0.56) PDK2CYP2A6NPY5RP4HTMKDM4E

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-20170179402-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed
US-20170179402-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed