SCHEMBL29637426

SCHEMBL29637426

Cc1nc2nc(C)c(C[C@@H]3CCN(c4cnc(-c5ccc(CN6CCN(C)C[C@H]6C)cc5)cn4)C3)c(C)n2n1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 11/20 0.82
KCNH2 Q12809 5/20 0.73
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL21565599 1.00 SLC16A3 (0.82) SLC16A3KCNH2AKT1AKT2KDM4E
SCHEMBL23116352 1.00 SLC16A3 (0.82) SLC16A3KCNH2AKT1AKT2KDM4E
SCHEMBL21565501 1.00 SLC16A3 (0.82) SLC16A3KCNH2AKT1AKT2KDM4E
SCHEMBL21565591 0.92 SLC16A3 (0.77) SLC16A3KCNH2AKT1AKT2KDM4E
SCHEMBL23116272 0.92 SLC16A3 (0.77) SLC16A3KCNH2AKT1AKT2KDM4E
SCHEMBL23116300 0.92 SLC16A3 (0.77) SLC16A3KCNH2AKT1AKT2KDM4E
SCHEMBL21565583 0.92 SLC16A3 (0.77) SLC16A3KCNH2AKT1AKT2KDM4E
SCHEMBL21550842 0.90 SLC16A3 (1.00) SLC16A3KCNH2AKT1AKT2
SCHEMBL21550845 0.90 SLC16A3 (1.00) SLC16A3KCNH2AKT1AKT2
SCHEMBL23116275 0.89 SLC16A3 (0.83) SLC16A3KCNH2AKT1AKT2KDM4E

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-3790879-B1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2022-06-29 EP disclosed