SCHEMBL29035847

SCHEMBL29035847

Cc1cc(Nc2cc(-c3cc(-c4ccccc4C(F)(F)F)[nH]c(=O)c3)ccn2)ccn1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 12/20 0.71
MAPK10 P53779 2/20 0.38
MAPK8 P45983 1/20 0.38
PDK2 Q15119 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NPY5R Q15761 1/20 0.36
KIT P10721 1/20 0.36
WNT3A P56704 1/20 0.35

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
SCHEMBL29035853 0.85 PIK3C3 (0.63) PIK3C3MAPK10MAPK8
SCHEMBL20765374 0.85 PIK3C3 (0.77) PIK3C3NPY5R
SCHEMBL29701003 0.85 PIK3C3 (0.77) PIK3C3NPY5R
SCHEMBL26612404 0.84 PIK3C3 (0.79) PIK3C3KIT
SCHEMBL20774921 0.83 PIK3C3 (0.80) PIK3C3CYP3A4
SCHEMBL20765429 0.83 PIK3C3 (1.00) PIK3C3MAPK10MEN1CYP1A2CYP3A4
SCHEMBL20764978 0.82 PIK3C3 (0.78) PIK3C3CYP3A4
SCHEMBL20765433 0.81 PIK3C3 (1.00) PIK3C3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20765560 0.81 PIK3C3 (1.00) PIK3C3
SCHEMBL22408453 0.81 PIK3C3 (1.00) PIK3C3CYP3A4KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201619-A Combination therapy of VPS34 inhibitors with STING agonists for the treatment of cancer 德西费拉制药有限责任公司 2024-06-14 CN claimed
CN-117255686-A Antiviral activity of VPS34 inhibitors 德西费拉制药有限责任公司 2023-12-19 CN claimed
CN-118201619-A Combination therapy of VPS34 inhibitors with STING agonists for the treatment of cancer 德西费拉制药有限责任公司 2024-06-14 CN disclosed
CN-117255686-A Antiviral activity of VPS34 inhibitors 德西费拉制药有限责任公司 2023-12-19 CN disclosed
CN-116041321-A Pyridinamine-pyridone compounds and pyrimidinamine-pyridone compounds 思普瑞特生物科学公司 2023-05-02 CN disclosed
CN-116041320-A Pyridinamine-pyridone compounds and pyrimidinamine-pyridone compounds 思普瑞特生物科学公司 2023-05-02 CN disclosed