SCHEMBL30281208

SCHEMBL30281208

NC(=O)c1ncnn1CC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.41
▸ SRC P12931 1/20 0.36
▸ CCNA2 P20248 4/20 0.35
▸ CDK2 P24941 4/20 0.35
▸ CCNA1 P78396 4/20 0.35
▸ PIK3CD O00329 4/20 0.33
▸ PIK3CG P48736 4/20 0.33
▸ AURKA O14965 1/20 0.31
▸ PLK1 P53350 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ RET P07949 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CDC7 O00311 1/20 0.30
▸ ADRA1A P35348 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
SCHEMBL30281146 0.87 PIK3CA (0.33) PIK3CAPIK3CDPIK3CGATM
SCHEMBL23990554 0.84 ATM (0.35) PIK3CAPIK3CDPIK3CGATMADRA1A
SCHEMBL23990535 0.79 NPC1 (0.33) PIK3CAPIK3CDPIK3CGRETADRA1A
SCHEMBL12498978 0.77 PDE4B (0.33) PIK3CAPIK3CDPIK3CGKMT2A
SCHEMBL30281196 0.76 ABL1 (0.32) PIK3CA
SCHEMBL30281185 0.76 HDAC1 (0.31) PIK3CA
SCHEMBL30281273 0.75 CNR1 (0.32) —
SCHEMBL3473167 0.74 TSHR (0.33) —
SCHEMBL31708457 0.72 ADRA1A (0.33) PIK3CAADRA1A
SCHEMBL30209669 0.71 SIRT2 (0.36) PIK3CASRCRET

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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