SCHEMBL28292622

SCHEMBL28292622

O=C(O)Nc1ccnc(C(=O)NCCO)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 13/20 0.45
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
KIT P10721 1/20 0.41
BRAF P15056 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL28940943 0.85 ANO1 (0.48) ANO1
SCHEMBL22341853 0.81 ANO1 (0.50) ANO1
SCHEMBL21379443 0.80 ANO1 (0.46) ANO1POLB
SCHEMBL21379445 0.80 ANO1 (0.46) ANO1POLB
SCHEMBL23405316 0.80 ANO1 (0.47) ANO1KMT2AKITBRAF
SCHEMBL13852609 0.80 KMT2A (0.52) POLBKMT2ACNR1
SCHEMBL6613121 0.80 MAP2K1 (0.44) POLBKMT2ABRAFCNR1
SCHEMBL28663446 0.79 KDM4E (0.55) ANO1
SCHEMBL8945334 0.78 POLB (0.54) POLBKMT2A
SCHEMBL21379406 0.77 NAMPT (0.48) CNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
CN-109689647-A The compound that bicyclic heteroaryl replaces 百时美施贵宝公司 2019-04-26 CN disclosed