SCHEMBL21279183

SCHEMBL21279183

Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
ALDH1A1 P00352 5/20 0.36
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CLK4 Q9HAZ1 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 3/20 0.36
NTSR1 P30989 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL21279174 0.97 PTGER4 (0.37) ABCG2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL22563593 0.95 ABCG2 (0.39) ABCG2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL22563568 0.92 PTGER4 (0.40) ABCG2MEN1KMT2AALDH1A1CYP2C19
SCHEMBL19913298 0.92 MYC (0.37) ABCG2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL21108319 0.90 L3MBTL1 (0.42) ABCG2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL21279105 0.90 ABCG2 (0.42) ABCG2MEN1KMT2AALDH1A1CYP2C19
SCHEMBL19909536 0.89 PTGER4 (0.37) ABCG2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL21279099 0.89 MEN1 (0.38) ABCG2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL21278796 0.88 ABCG2 (0.46) ABCG2MEN1KMT2AALDH1A1CYP2C19
SCHEMBL21279170 0.88 MEN1 (0.41) ABCG2MEN1KMT2AALDH1A1CYP2C19

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-3399004-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-08-21 EP disclosed