SCHEMBL9740205

SCHEMBL9740205

Cc1[nH]c2c(=O)[nH]nc(CC(C)C)c2c1C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
DYRK1A Q13627 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
SCHEMBL9738716 0.72 PARP1 (0.47)
SCHEMBL15334780 0.68 DYRK1A (0.42) TSHRDYRK1A
SCHEMBL6366229 0.62 TSHR (0.46) TSHRMEN1KMT2APDE3BPDE3A
SCHEMBL11831269 0.61 TSHR (0.35) TSHRDYRK1A
SCHEMBL14556065 0.60 P2RX7 (0.43) TSHR
SCHEMBL13748893 0.59 TSHR (0.33) TSHR
SCHEMBL12190615 0.58 PDE3B (0.37) TSHRPDE3BPDE3A
SCHEMBL12862602 0.56 TSHR (1.00) TSHRPDE3BPDE3A
SCHEMBL16885274 0.56 KDM4E (0.38) TSHRPDE3BPDE3A
SCHEMBL5307611 0.56 TSHR (0.42) TSHR

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
WO-1992006979-A1 NEW DIAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-04-30 WO disclosed