SCHEMBL17833688

SCHEMBL17833688

c1cnc2c(c1)oc1ccc(-c3ccnc(-c4cc(-c5ccc6oc7ccncc7c6c5)ccn4)c3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.38
▸ PIK3CA P42336 2/20 0.36
▸ MAPT P10636 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ HIF1A Q16665 2/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ CYP2A6 P11509 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL17827358 0.90 MAPK14 (0.39) MAPK14MAPTNPC1DYRK1ALMNA
SCHEMBL15835978 0.89 PGR (0.40) MAPK14PIK3CAMAPTNPC1DYRK1A
SCHEMBL15855249 0.89 PGR (0.40) MAPK14PIK3CAMAPTNPC1DYRK1A
SCHEMBL15836024 0.89 PGR (0.40) MAPK14PIK3CAMAPTNPC1DYRK1A
SCHEMBL15855425 0.87 PLA2G2A (0.36) MAPK14PIK3CAMAPTNPC1PRKDC
SCHEMBL15855411 0.84 MAPK14 (0.35) MAPK14PIK3CAMAPTNPC1LRRK2
SCHEMBL15855248 0.84 PGR (0.37) MAPK14PIK3CAMAPTNPC1DYRK1A
SCHEMBL15835964 0.83 NPC1 (0.44) MAPK14MAPTNPC1DYRK1AKDM4E
SCHEMBL15835963 0.83 NPC1 (0.44) MAPK14MAPTNPC1DYRK1AKDM4E
SCHEMBL16482063 0.83 NPC1 (0.44) MAPK14MAPTNPC1DYRK1AKDM4E

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-10910565-B2 Organic electroluminescent element, material for organic electroluminescent elements, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2021-02-02 — — US disclosed
US-20160172602-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 — — US disclosed
US-20160172602-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 — — US disclosed
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