SCHEMBL30876453

SCHEMBL30876453

Cn1cc2ccc(C=O)nc2n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NSD2 O96028 1/20 0.37
ADORA1 P30542 3/20 0.35
ADORA2A P29274 2/20 0.35
FGFR4 P22455 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
P2RX7 Q99572 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
SCHEMBL23554898 0.74 CCR1 (0.41) CCR1ALDH1A1MAPTKDM4ENSD2
SCHEMBL3421490 0.73 ALDH1A1 (0.65) CCR1ALDH1A1P2RX7
SCHEMBL15833604 0.72 MAPT (0.41) CCR1ALDH1A1MAPTKDM4ENSD2
SCHEMBL15819411 0.71 ADORA2A (0.46) ALDH1A1MAPTKDM4ENSD2ADORA1
SCHEMBL19928112 0.69 MAPT (0.39) ALDH1A1MAPTKDM4ENSD2ADORA1
SCHEMBL21604597 0.69 ADORA2A (0.37) ALDH1A1MAPTKDM4ENSD2ADORA1
SCHEMBL31600322 0.68 CYP1A2 (0.40) ALDH1A1MAPTKDM4ENSD2ADORA1
SCHEMBL25786732 0.68 MAPT (0.38) ALDH1A1MAPTKDM4ENSD2ADORA1
SCHEMBL21604627 0.66 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ENSD2
SCHEMBL31721638 0.66 MAT2A (0.38) ALDH1A1MAPTKDM4ENSD2

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-4608830-A1 HETEROCYCLIC COMPOUNDS AS STING ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2025-09-03 EP disclosed
WO-2024089155-A1 HETEROCYCLIC COMPOUNDS AS STING ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-05-02 WO disclosed