SCHEMBL30066176

SCHEMBL30066176

Sc1nccc(-c2ncco2)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.38
LTA4H P09960 1/20 0.37
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
PIN1 Q13526 1/20 0.33
BRD4 O60885 1/20 0.33
MAPK1 P28482 1/20 0.32
ADRA2A P08913 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1D P25100 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
SCHEMBL27176347 1.00 HPGDS (0.38) HPGDSLTA4HCCNCCDK8PIN1
SCHEMBL315001 0.78 HPGDS (0.44) HPGDSLTA4HCCNCCDK8PIN1
SCHEMBL21801560 0.78 HSP90AA1 (0.50)
SCHEMBL14031549 0.73 PDPK1 (0.40) HPGDSLTA4HCCNCCDK8BRD4
SCHEMBL8929882 0.72 HPGDS (0.40) HPGDSLTA4HCCNCCDK8PIN1
SCHEMBL100765 0.71 HPGDS (0.46) HPGDSLTA4HPIN1BRD4ADRA2A
SCHEMBL3079973 0.71 CYP2D6 (0.39) HPGDSLTA4HBRD4
SCHEMBL14535515 0.71 CCR1 (0.54) HPGDSLTA4HBRD4
SCHEMBL28714481 0.71 HPGDS (0.39) HPGDSLTA4HCCNCCDK8PIN1
SCHEMBL2569188 0.69 RAB9A (0.54) HPGDSLTA4H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115368373-B Spiro compounds and application thereof 石药集团中奇制药技术(石家庄)有限公司 2025-02-14 CN disclosed
WO-2022242767-A1 SPIRO COMPOUND AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2022-11-24 WO disclosed
CN-115368373-A Spirocyclic compound and use thereof 石药集团中奇制药技术(石家庄)有限公司 2022-11-22 CN disclosed