SCHEMBL22562237

SCHEMBL22562237

Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cc(-c3cccc(-c4ccccc4)n3)c(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)cc2C#N)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.37
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 5/20 0.33
CYP2C19 P33261 4/20 0.33
CYP3A4 P08684 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2C9 P11712 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL22562242 0.92 CYP1A2 (0.34) TGFBR1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL22562338 0.92 TGFBR1 (0.36) TGFBR1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL22562212 0.92 CYP11B1 (0.36) TGFBR1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL19908970 0.91 SQOR (0.36) KDM4EL3MBTL1CYP1A2CYP2C19KMT2A
SCHEMBL21278882 0.91 L3MBTL1 (0.36) KDM4EL3MBTL1MAPTCYP1A2CYP2C19
SCHEMBL22563468 0.90 SQOR (0.36) KDM4EL3MBTL1MAPTCYP1A2CYP2C19
SCHEMBL22562238 0.90 MEN1 (0.34) TGFBR1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL19913262 0.89 SQOR (0.34) KDM4EL3MBTL1CYP1A2CYP2C19KMT2A
SCHEMBL22563471 0.88 NPSR1 (0.37) KDM4EL3MBTL1CYP1A2CYP2C19MEN1
SCHEMBL22562216 0.88 KDM4E (0.41) TGFBR1KDM4EL3MBTL1MAPTCYP1A2

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-3418278-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed