SCHEMBL22268596

SCHEMBL22268596

Cc1cc(C)nc(-c2ccc(C#N)cc2-n2c3ccccc3c3ccc(-c4ccc(C#N)cc4)cc32)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.38
PTGER4 P35408 2/20 0.38
CHEK1 O14757 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
FFAR1 O14842 1/20 0.35
ELANE P08246 1/20 0.34
FLT3 P36888 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
USP14 P54578 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HSD11B1 P28845 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MARK3 P27448 1/20 0.32
GSK3A P49840 1/20 0.32

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
SCHEMBL22268457 0.97 ABCG2 (0.40) ABCG2PTGER4CHEK1MEN1KMT2A
SCHEMBL22268550 0.94 CHEK1 (0.40) ABCG2CHEK1KMT2AFFAR1FLT3
SCHEMBL22268549 0.94 ABCG2 (0.35) ABCG2PTGER4CHEK1MEN1KMT2A
SCHEMBL22268463 0.94 ABCG2 (0.42) ABCG2CHEK1MEN1KMT2AATM
SCHEMBL22268472 0.93 ABCG2 (0.35) ABCG2PTGER4CHEK1MEN1KMT2A
SCHEMBL22268462 0.92 ABCG2 (0.37) ABCG2PTGER4FFAR1USP14
SCHEMBL22268465 0.92 ABCG2 (0.39) ABCG2PTGER4MEN1KMT2AELANE
SCHEMBL20114643 0.92 PTGER4 (0.39) PTGER4CHEK1MEN1KMT2AATM
SCHEMBL22268551 0.91 STS (0.35) ABCG2PTGER4MEN1KMT2AATM
SCHEMBL22268532 0.91 CYP11B1 (0.35) ABCG2PTGER4CHEK1MEN1KMT2A

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-3392247-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-29 EP disclosed