SCHEMBL19259331

SCHEMBL19259331

CPc1ccc(-c2cc(C(=O)NC(C)(C)C)cc(-c3ccnn3C(C)(C)C)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.32
POLB P06746 2/20 0.32
CACNA1B Q00975 1/20 0.32
JAK2 O60674 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
P2RY14 Q15391 1/20 0.31

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
SCHEMBL19207339 0.88 CTRC (0.39) RIPK1LMNAMEN1KMT2AALDH1A1
SCHEMBL19207304 0.87 CNR1 (0.45) RIPK1LMNACNR1
SCHEMBL19207284 0.87 MAPT (0.40) RIPK1LMNAALDH1A1KDM4EHPGD
SCHEMBL19207262 0.87 LMNA (0.46) RIPK1LMNAMEN1KMT2AALDH1A1
SCHEMBL19207288 0.85 GAA (0.37) RIPK1LMNAHPGDCNR1CACNA1B
SCHEMBL19207276 0.85 P2RY14 (0.44) RIPK1LMNAALDH1A1KDM4EHPGD
SCHEMBL19207324 0.85 NPC1 (0.46) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL19207269 0.84 EGLN2 (0.41)
SCHEMBL19207327 0.84 KDM2B (0.36) RIPK1LMNAMEN1KMT2AALDH1A1
SCHEMBL19207261 0.83 KDM5A (0.38) RIPK1LMNAMEN1KMT2ACNR1

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-3411365-B1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-11-20 EP disclosed
WO-2017133990-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-08-10 WO disclosed