SCHEMBL23731682

SCHEMBL23731682

CNc1cnc2c(c1)ncc1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
GPR3 P46089 1/20 0.50
EGFR P00533 2/20 0.38
KDM1A O60341 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 1/20 0.38
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TOP2A P11388 1/20 0.35

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
SCHEMBL22333771 0.81 KDM4E (0.50) KDM4EGPR3EGFRKDM1ANPSR1
SCHEMBL19055103 0.80 KDM4E (0.58) KDM4EGPR3EGFRKDM1ACYP1A2
SCHEMBL19007828 0.78 CYP1A2 (0.56) KDM4EGPR3CYP1A2CYP2A6PDGFRB
SCHEMBL128095 0.75 NPSR1 (0.57) KDM4EEGFRCYP1A2NPSR1MAPT
SCHEMBL30824513 0.75 NPSR1 (0.57) KDM4EEGFRCYP1A2NPSR1MAPT
SCHEMBL20019324 0.75 KDM4E (0.50) KDM4EGPR3EGFRCYP1A2CYP2A6
SCHEMBL18015669 0.75 KDM4E (0.50) KDM4EGPR3CYP1A2CYP2A6PDGFRB
SCHEMBL19020614 0.75 KDM4E (0.50) KDM4EGPR3CYP1A2CYP2A6PDGFRB
SCHEMBL19060253 0.74 KDM4E (0.46) KDM4EGPR3CYP1A2CYP2A6MEN1
SCHEMBL2488607 0.72 KDM4E (0.58) KDM4EGPR3CYP1A2CYP2A6MAPT

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
EP-3244466-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-08-04 EP disclosed