SCHEMBL21444356

SCHEMBL21444356

C=C/N=C(\N=C/C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.36
▸ ATM Q13315 1/20 0.31
▸ BLM P54132 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
SCHEMBL17779611 0.74 ATM (0.38) ATM
SCHEMBL26502826 0.72 AKT1 (0.39) AKT1
SCHEMBL25113036 0.71 AKT1 (0.37) AKT1ATM
SCHEMBL19085495 0.69 AKT1 (0.36) AKT1ATM
SCHEMBL19085533 0.69 AKT1 (0.36) AKT1ATM
SCHEMBL18792399 0.69 ATM (0.37) AKT1ATM
SCHEMBL15870900 0.68 ALOX15 (0.43) —
SCHEMBL18105408 0.68 KMT2A (0.35) AKT1ATM
SCHEMBL14015944 0.67 F2 (0.41) AKT1ATMBLM
SCHEMBL19773599 0.67 AKT1 (0.46) AKT1ATMBLM

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-3281936-B1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SHANGHAI NICHEM FINE CHEMICAL CO LTD (CN) 2019-10-09 — — EP disclosed
Send feedback