SCHEMBL25019893

SCHEMBL25019893

C/C(=N\SC(C)(C)C)c1cccc(C(C)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ GAA P10253 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ ACHE P22303 3/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.38
▸ CES2 O00748 1/20 0.38
▸ FURIN P09958 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 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
SCHEMBL20792451 0.91 KMT2A (0.55) KMT2AMEN1GAAACHENPSR1
SCHEMBL20327220 0.85 KMT2A (0.41) KMT2AMEN1GAATAS1R3TAS1R1
SCHEMBL21667311 0.79 PARP1 (0.42) KMT2AMEN1GAAACHEFURIN
SCHEMBL26017812 0.78 ACSS2 (0.41) KMT2AMEN1TAS1R3TAS1R1ACHE
SCHEMBL25020982 0.78 MEN1 (0.33) KMT2AMEN1GAAACHENPSR1
SCHEMBL19726233 0.78 SMN1; SMN2 (0.47) KMT2AMEN1ALDH1A1
SCHEMBL28861776 0.78 MEN1 (0.49) KMT2AMEN1GAAFURINALDH1A1
SCHEMBL28230918 0.78 SMN1; SMN2 (0.47) KMT2AMEN1ALDH1A1
SCHEMBL24625373 0.77 AKR1C3 (0.36) KMT2AMEN1GAAFURIN
SCHEMBL22628277 0.77 AKR1C3 (0.36) KMT2AMEN1GAAFURIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219493-A1 BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2023-08-02 — — EP disclosed
EP-3728254-B1 BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-02-15 — — EP disclosed
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