SCHEMBL31444375

SCHEMBL31444375

O=C(O)c1cnc(N2CCC[C@H]2c2ccccc2Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PPID Q08752 1/20 0.39
PPIG Q13427 1/20 0.39
PDE5A O76074 1/20 0.39
SMO Q99835 1/20 0.38
ROCK2 O75116 1/20 0.38
FFAR2 O15552 5/20 0.37
NTRK1 P04629 3/20 0.37
RIPK1 Q13546 1/20 0.37

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
SCHEMBL31444355 0.87 SMO (0.42) HSP90AA1HSP90AB1SMOROCK2
SCHEMBL31444295 0.84 PDE5A (0.46) HSP90AA1HSP90AB1PDE5AROCK2FFAR2
SCHEMBL31444378 0.80 RIPK1 (0.41) HSP90AA1HSP90AB1FFAR2NTRK1RIPK1
SCHEMBL31444410 0.80 HSP90AA1 (0.43) HSP90AA1HSP90AB1FFAR2NTRK1
SCHEMBL31444405 0.80 HSP90AA1 (0.43) HSP90AA1HSP90AB1FFAR2NTRK1
SCHEMBL31444272 0.79 HSP90AA1 (0.43) HSP90AA1HSP90AB1PPIDPPIGPDE5A
SCHEMBL31444231 0.76 SCN9A (0.41) HSP90AA1HSP90AB1FFAR2NTRK1
SCHEMBL31444445 0.76 RAB9A (0.50) HSP90AA1HSP90AB1ROCK2FFAR2
SCHEMBL21732087 0.75 NTRK1 (0.54) NTRK1RIPK1
SCHEMBL21723201 0.75 NTRK1 (0.54) NTRK1RIPK1

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
WO-2025072451-A1 RAS-PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOLOGICAL DISEASES VIVIDION THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed