SCHEMBL29637402

SCHEMBL29637402

Cc1nc2nc(C)c(C[C@@H]3CCN(c4ccc(-c5ccc(CN6CCOCC6)cc5)nn4)C3)c(C)n2n1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.79
SLC16A3 O15427 10/20 0.76
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCHR1 Q99705 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
DYRK1A Q13627 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
ACVR1 Q04771 1/20 0.34

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
SCHEMBL21565735 1.00 KCNH2 (0.79) KCNH2SLC16A3MEN1KMT2AMCHR1
SCHEMBL23116279 1.00 KCNH2 (0.79) KCNH2SLC16A3MEN1KMT2AMCHR1
SCHEMBL21565528 0.88 KCNH2 (1.00) KCNH2SLC16A3MEN1KMT2AHRH3
SCHEMBL23116299 0.88 KCNH2 (1.00) KCNH2SLC16A3MEN1KMT2AHRH3
SCHEMBL21551376 0.86 SLC16A3 (1.00) KCNH2SLC16A3MEN1KMT2AMCHR1
SCHEMBL21565589 0.86 SLC16A3 (1.00) KCNH2SLC16A3MEN1KMT2AMCHR1
SCHEMBL21551378 0.86 SLC16A3 (1.00) KCNH2SLC16A3MEN1KMT2AMCHR1
SCHEMBL23116333 0.86 SLC16A3 (0.81) KCNH2SLC16A3MEN1KMT2ADYRK1A
SCHEMBL23116284 0.86 KCNH2 (0.81) KCNH2SLC16A3MEN1KMT2AHRH3
SCHEMBL21565663 0.86 KCNH2 (0.81) KCNH2SLC16A3MEN1KMT2AHRH3

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