SCHEMBL31310037

SCHEMBL31310037

O=C1NCc2ncc(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 1/20 0.41
PARP10 Q53GL7 2/20 0.39
PARP1 P09874 1/20 0.39
GRM5 P41594 3/20 0.37
MET P08581 1/20 0.37
GRM2 Q14416 1/20 0.36
FABP6 P51161 1/20 0.36
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CA P42336 1/20 0.35
PARP11 Q9NR21 1/20 0.35
MKNK2 Q9HBH9 2/20 0.34
NTRK1 P04629 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
DAPK3 O43293 1/20 0.33
PIM1 P11309 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL17141532 0.78 PARP10 (0.39) PRF1PARP10PARP1METPARP11
SCHEMBL12241444 0.78 PARP10 (0.39) PRF1PARP10PARP1METPARP11
SCHEMBL25323349 0.78 PARP16 (0.38) PRF1PARP1METMKNK2NTRK1
SCHEMBL30551099 0.78 PARP16 (0.38) PRF1PARP1METMKNK2NTRK1
SCHEMBL30099118 0.77 PARP10 (0.43) PRF1PARP10PARP1PARP11
SCHEMBL30099135 0.77 PARP10 (0.43) PRF1PARP10PARP1PARP11
SCHEMBL25412262 0.75 PRF1 (0.33) PRF1MKNK2CA12CA9CDC7
SCHEMBL25432944 0.75 TDP2 (0.40)
SCHEMBL25411825 0.74 PRF1 (0.32) PRF1PARP1MKNK2CA12CA9
SCHEMBL8180707 0.74 HPGD (0.35) PRF1PIK3CDPIK3CBPIK3CAMKNK2

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-122079880-A Nitrogen-containing heterocyclic derivative inhibitor, preparation method and application thereof 2026-05-26 CN disclosed
CN-122079879-A Nitrogen-containing heterocyclic derivative inhibitor, preparation method and application thereof 2026-05-26 CN disclosed
CN-122079878-A Nitrogen-containing heterocyclic derivative inhibitor, preparation method and application thereof 2026-05-26 CN disclosed
CN-120019043-A Nitrogen-containing heterocyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-16 CN disclosed
CN-119264042-A Cyclopentane derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-01-07 CN disclosed
WO-2025006982-A1 POTENT AND SELECTIVE DOPAMINE D3 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-01-02 WO disclosed