SCHEMBL31401569

SCHEMBL31401569

c1cc2c(c(-c3ccncc3)c1)OCC2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
GRM2 Q14416 1/20 0.41
CCR8 P51685 1/20 0.39
KCNH2 Q12809 1/20 0.39
PIK3CD O00329 1/20 0.37
PDE4B Q07343 2/20 0.36
MAP4K1 Q92918 1/20 0.36
CYP19A1 P11511 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP11B1 P15538 1/20 0.36
NPY5R Q15761 1/20 0.35
PRF1 P14222 1/20 0.35
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
HASPIN Q8TF76 1/20 0.34
GYS1 P13807 1/20 0.34

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
SCHEMBL17165397 0.87 PARP1 (0.37) PARP1GRM2CCR8KCNH2PDE4B
SCHEMBL28230835 0.84 PARP1 (0.47) PARP1GRM2KCNH2GYS1
SCHEMBL14278982 0.79 PARP1 (0.44) PARP1GRM2MAP4K1HASPINGYS1
SCHEMBL29677390 0.79 PDE4B (0.34) PARP1PDE4BCYP11B2CDK1CDK2
Hydrochloric Acid SCHEMBL3277138 0.79 S1PR1 (0.42)
SCHEMBL6962873 0.77 ROCK2 (0.48) PIK3CDCYP11B2CYP11B1
SCHEMBL31401040 0.76 PDE4B (0.37) PDE4BCYP19A1CYP11B2CYP11B1PRF1
SCHEMBL30820691 0.76 PDE4B (0.32) PDE4B
SCHEMBL612479 0.76 PDE4B (0.37) PDE4BCYP19A1CYP11B2CYP11B1PRF1
SCHEMBL15997877 0.74 PARP1 (0.50) PARP1GYS1

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-4739682-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP disclosed
WO-2025008058-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-01-09 WO disclosed