SCHEMBL28848967

SCHEMBL28848967

CN1CCn2c(cc3cc(Br)ncc32)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
QRFPR Q96P65 3/20 0.35
KCNH2 Q12809 1/20 0.35
SIGMAR1 Q99720 13/20 0.34
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL29878456 1.00 HTR2A (0.38) HTR2AHTR2CQRFPRKCNH2SIGMAR1
SCHEMBL29878230 0.75 MAT2A (0.36) QRFPRKCNH2
SCHEMBL26683570 0.72 HTR2A (0.46) HTR2AHTR2CSIGMAR1HRH4HRH3
SCHEMBL29878508 0.71 HRH3 (0.42) QRFPRKCNH2HRH3
SCHEMBL28849119 0.71 HRH3 (0.42) QRFPRKCNH2HRH3
SCHEMBL21278135 0.69 HTR2A (0.73) HTR2AHTR2CSIGMAR1
SCHEMBL17809478 0.69 HTR2A (0.55) HTR2AHTR2CSIGMAR1HRH4
SCHEMBL21671855 0.69 HTR2A (0.46) HTR2AHTR2CSIGMAR1
SCHEMBL8015265 0.66 HTR2A (0.32) HTR2AHTR2C
SCHEMBL24640369 0.66 HTR2A (0.33) HTR2AHTR2CSIGMAR1

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
CN-114940683-B HPK1 inhibitors and uses thereof 轩竹(北京)医药科技有限公司 2023-01-17 CN disclosed
CN-114940683-A HPK1 inhibitors and uses thereof 轩竹(北京)医药科技有限公司 2022-08-26 CN disclosed