SCHEMBL21320358

SCHEMBL21320358

Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccnc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5cccc6c5c5c(n6-c6ccccc6)CCC=C5)cc4)c3)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDR P35968 1/20 0.31
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ RXFP1 Q9HBX9 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
SCHEMBL21320315 0.92 ALDH1A1 (0.31) ALDH1A1RXFP1
SCHEMBL21319877 0.91 — —
SCHEMBL17714860 0.89 MEN1 (0.39) MEN1KMT2AKDRCCNA2CDK2
SCHEMBL21320331 0.86 KDM4E (0.33) —
SCHEMBL21319883 0.86 ALK (0.30) —
SCHEMBL21320073 0.84 ALDH1A1 (0.33) MEN1KMT2AALDH1A1RXFP1
SCHEMBL17714769 0.83 MAPT (0.35) KMT2ACCNA2CDK2
SCHEMBL21320518 0.82 KDM4E (0.32) ALDH1A1
SCHEMBL17714796 0.82 MEN1 (0.36) MEN1KMT2AKDRCCNA2CDK2
SCHEMBL21320389 0.81 GRM5 (0.34) —

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-3015465-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2019-09-04 — — EP disclosed
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