SCHEMBL30281185

SCHEMBL30281185

NC(=O)c1ncnn1CC(F)F

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ PIK3CA P42336 1/20 0.30
▸ TGFBR1 P36897 1/20 0.30
▸ TGFBR2 P37173 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
SCHEMBL24770460 0.79 POLB (0.38) HDAC1HDAC6
SCHEMBL12498978 0.77 PDE4B (0.33) PIK3CATGFBR1
SCHEMBL30281298 0.76 — —
SCHEMBL16490477 0.76 PIK3CA (0.31) PIK3CA
SCHEMBL30281208 0.76 PIK3CA (0.41) PIK3CA
SCHEMBL30281273 0.75 CNR1 (0.32) TGFBR1
SCHEMBL3473167 0.74 TSHR (0.33) —
SCHEMBL30281146 0.73 PIK3CA (0.33) PIK3CATGFBR1TGFBR2
SCHEMBL30209669 0.71 SIRT2 (0.36) HDAC1PIK3CA
SCHEMBL28976350 0.71 ATM (0.31) HDAC1HDAC6

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-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 — — EP disclosed
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