SCHEMBL21757799

SCHEMBL21757799

N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-c2ccncc2)cc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA3 Q9Y6Q9 1/20 0.41
SQOR Q9Y6N5 1/20 0.41
CYP2C19 P33261 2/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PDE5A O76074 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38
BLM P54132 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SLC6A2 P23975 2/20 0.38
HTT P42858 2/20 0.37
CDK5 Q00535 4/20 0.37
DYRK1A Q13627 3/20 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
SCHEMBL19909469 0.92 CYP19A1 (0.38) NCOA3SQORCYP2C19PDE3BPDE3A
SCHEMBL19909489 0.92 SQOR (0.36) NCOA3SQORCYP2C19PDE3BPDE3A
SCHEMBL19913100 0.92 SQOR (0.36) NCOA3SQORCYP2C19PDE3BPDE3A
SCHEMBL19909481 0.92 SQOR (0.36) NCOA3SQORCYP2C19PDE3BPDE3A
SCHEMBL19909084 0.92 CYP19A1 (0.38) NCOA3SQORCYP2C19PDE3BPDE3A
SCHEMBL19909103 0.92 SQOR (0.36) NCOA3SQORCYP2C19PDE3BPDE3A
SCHEMBL19909483 0.91 PIK3CA (0.41) NCOA3SQORCYP2C19CDK5DYRK1A
SCHEMBL19909482 0.91 IMPDH2 (0.41) NCOA3SQORCYP2C19CDK5DYRK1A
SCHEMBL19908931 0.91 ALDH1A1 (0.40) NCOA3SQORCYP2C19PDE3BPDE3A
SCHEMBL19908934 0.91 ALDH1A1 (0.43) NCOA3SQORCYP2C19PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210351364-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE SK MATERIALS JNC CO., LTD. (KR) 2021-11-11 US disclosed
WO-2020218558-A1 COMPOUND, MATERIAL FOR ORGANIC DEVICE, COMPOSITION FOR FORMING LIGHT-EMITTING LAYER, ORGANIC FIELD-EFFECT TRANSISTOR, ORGANIC THIN-FILM SOLAR CELL, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE 学校法人関西学院 2020-10-29 WO disclosed
WO-2020040298-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, ILLUMINATION DEVICE, LUMINESCENT LAYER FORMING COMPOSITION, AND COMPOUND 学校法人関西学院 2020-02-27 WO disclosed