SCHEMBL29607356

SCHEMBL29607356

CC1=NCCc2c(Br)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTR2C P28335 2/20 0.40
POLB P06746 1/20 0.40
ADRB2 P07550 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
PIM1 P11309 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CDK5 Q00535 1/20 0.37
ROCK1 Q13464 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL1011067 1.00 PARP10 (0.42) PARP10PARP11KDM4EMAPTMEN1
SCHEMBL1011370 0.81 ALDH1A1 (0.47) PARP10PARP11KDM4EMAPTMEN1
SCHEMBL33531892 0.79 PARP10 (0.40) PARP10PARP11KDM4EMEN1KMT2A
SCHEMBL1010129 0.78 CYP19A1 (0.41) KDM4EMAPTMEN1KMT2AHTR2C
SCHEMBL28163806 0.78 PARP1 (0.42) KDM4EMAPTMEN1KMT2AHTR2C
SCHEMBL15487682 0.78 KDM4E (0.40) KDM4EMAPTMEN1KMT2AHTR2C
SCHEMBL1009344 0.78 CYP19A1 (0.41) KDM4EMAPTMEN1KMT2AHTR2C
SCHEMBL30167242 0.78 CYP19A1 (0.41) KDM4EMAPTMEN1KMT2AHTR2C
SCHEMBL28164453 0.78 PARP1 (0.42) KDM4EMAPTMEN1KMT2AHTR2C
SCHEMBL30878582 0.75 HTR2C (0.55) KDM4EMAPTHTR2CPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867346-B Kinase inhibitors GB005股份有限公司 2025-03-14 CN disclosed
CN-114008032-B Substituted tetrahydroisoquinoline derivatives as D1 positive allosteric modulators UCB生物制药有限责任公司 2023-11-10 CN disclosed
EP-4267555-A1 OCTAHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2023-11-01 EP disclosed
CN-116897150-A Novel bifunctional molecules for protein-targeted degradation 安菲斯塔治疗有限公司 2023-10-17 CN disclosed
CN-116507332-A Octahydroisoquinolinyl derivatives UCB生物制药有限责任公司 2023-07-28 CN disclosed
EP-4157446-A1 KINASE INHIBITORS GB002, Inc. (US) 2023-04-05 EP disclosed
CN-115867346-A Kinase inhibitors GB005股份有限公司 2023-03-28 CN disclosed
CN-108884050-B Tetrahydroisoquinoline derivatives UCB生物制药私人有限公司 2022-07-05 CN disclosed
WO-2022117678-A1 OCTAHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2022-06-09 WO disclosed
EP-3993795-A1 A SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATIVE AS A D1 POSITIVE ALLOSTERIC MODULATOR UCB Biopharma SRL (BE) 2022-05-11 EP disclosed