SCHEMBL19679669

SCHEMBL19679669

c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3c2sc2c3ccc3c4ccccc4sc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPY5R Q15761 1/20 0.32
LIMK1 P53667 1/20 0.32
PTGER4 P35408 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 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
SCHEMBL17087600 0.93 KDM4E (0.38) KDM4EATML3MBTL1NPY5RLIMK1
SCHEMBL19758428 0.92 KDM4E (0.36) KDM4EATML3MBTL1NPY5RLIMK1
SCHEMBL22763707 0.92 KDM4E (0.36) KDM4EATML3MBTL1NPY5RLIMK1
SCHEMBL19758432 0.90 KDM4E (0.35) KDM4EATML3MBTL1NPY5RLIMK1
SCHEMBL19758431 0.90 KDM4E (0.35) KDM4EATML3MBTL1NPY5RLIMK1
SCHEMBL19679676 0.90
SCHEMBL17087594 0.90 LIMK1 (0.36) KDM4EATML3MBTL1NPY5RLIMK1
SCHEMBL19679643 0.90 L3MBTL1 (0.32) KDM4EATML3MBTL1
SCHEMBL17087596 0.89 LIMK1 (0.34) KDM4EATML3MBTL1NPY5RLIMK1
SCHEMBL24479498 0.89 ALOX5 (0.40) KDM4EATML3MBTL1NPY5RLIMK1

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-20170352447-A1 NOVEL HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SFC CO., LTD. (KR) 2017-12-07 US disclosed
US-20170352447-A1 NOVEL HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SFC CO., LTD. (KR) 2017-12-07 US disclosed