SCHEMBL22672148

SCHEMBL22672148

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5c(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cccc5c4c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGER4 P35408 1/20 0.35
LIMK1 P53667 1/20 0.34
ALOX5 P09917 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
NPY5R Q15761 1/20 0.30

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
SCHEMBL22672142 0.97 KDM4E (0.35) KDM4EATML3MBTL1PTGER4LIMK1
SCHEMBL27020992 0.95 LIMK1 (0.38) PTGER4LIMK1ALOX5PIM1PIM3
SCHEMBL25928790 0.92 LIMK1 (0.37) KDM4EATMLIMK1ALOX5PIM1
SCHEMBL24216667 0.92 LIMK1 (0.36) KDM4EATML3MBTL1LIMK1ALOX5
SCHEMBL24216384 0.91 LIMK1 (0.39) LIMK1ALOX5PIM1PIM3PIM2
SCHEMBL24216407 0.91 LIMK1 (0.38) KDM4EATML3MBTL1LIMK1ALOX5
SCHEMBL15786005 0.91 KDM4E (0.34) KDM4EATML3MBTL1PTGER4ALOX5
SCHEMBL22257598 0.91 ALOX5 (0.40) KDM4EATML3MBTL1PTGER4LIMK1
SCHEMBL22257580 0.91 ALOX5 (0.37) KDM4EATML3MBTL1PTGER4LIMK1
SCHEMBL22257780 0.91 ALOX5 (0.41) KDM4EATML3MBTL1PTGER4LIMK1

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
US-20200365811-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, COMPOSITION, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND COMPOSITION FILM IDEMITSU KOSAN CO.,LTD. (JP) 2020-11-19 US disclosed