SCHEMBL31025535

SCHEMBL31025535

CC(=O)c1cc(Br)cc2c1nc(N1CCCCC1)n1nc(-c3cnccn3)nc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
ADORA3 P0DMS8 4/20 0.33
ADORA2A P29274 4/20 0.33
ADORA1 P30542 4/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
OPRK1 P41145 3/20 0.33
NPY5R Q15761 1/20 0.32
MAPT P10636 2/20 0.31
RXFP1 Q9HBX9 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
HPGD P15428 1/20 0.30
TP53 P04637 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL31025500 0.85 ADORA3 (0.34) POLBADORA3ADORA2AADORA1LMNA
SCHEMBL31025439 0.84 POLB (0.32) SMN1; SMN2POLBADORA3ADORA2AADORA1
SCHEMBL31025560 0.81 TP53 (0.41) ADORA3ADORA2AADORA1MAPTRXFP1
SCHEMBL31025517 0.78 HRH4 (0.38) SMN1; SMN2POLBADORA3ADORA2AADORA1
SCHEMBL31025498 0.75 POLB (0.34) SMN1; SMN2POLBADORA3ADORA2AADORA1
SCHEMBL31025479 0.75 NPY5R (0.31) NPY5RTP53
Hydrochloric Acid SCHEMBL31025649 0.73 NPY5R (0.35) POLBADORA3ADORA2AADORA1NPY5R
SCHEMBL31025502 0.71 THRB (0.43) POLBADORA3ADORA2AADORA1NPY5R
SCHEMBL31025486 0.69 LMNA (0.33) SMN1; SMN2ADORA3ADORA2AADORA1LMNA
SCHEMBL31025529 0.67 NPC1 (0.33) NPC1RAB9A

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-4658657-A1 SUBSTITUTED TRICYCLIC COMPOUNDS Mirati Therapeutics, Inc. (US) 2025-12-10 EP disclosed
WO-2024163707-A1 SUBSTITUTED TRICYCLIC COMPOUNDS Mirati Therapeutics, Inc. (US) 2024-08-08 WO disclosed