SCHEMBL28596071

SCHEMBL28596071

C1=Cc2ccccc2NCC1.c1ccc2c(c1)CCCCN2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.32
CYP2D6 P10635 2/20 0.32
MLNR O43193 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL448758 0.83 GAA (0.44) MAPTGAAKDM4EMEN1ALDH1A1
SCHEMBL28986081 0.82 GAA (0.43) MAPTGAAKDM4EMEN1ALDH1A1
SCHEMBL28264866 0.82 GAA (0.43) MAPTGAAKDM4EMEN1ALDH1A1
SCHEMBL24119 0.82 TSHR (0.52) MAPTTSHRGAACYP2D6HTR1A
SCHEMBL29373532 0.82 TSHR (0.52) MAPTTSHRGAACYP2D6HTR1A
SCHEMBL28370547 0.82 TSHR (0.52) MAPTTSHRGAACYP2D6HTR1A
SCHEMBL11611264 0.80 GAA (0.39) MAPTGAA
SCHEMBL11611273 0.80 GAA (0.39) MAPTGAA
SCHEMBL3041192 0.80 GAA (0.41) MAPTGAAMEN1ALDH1A1KMT2A
SCHEMBL12471147 0.80 GAA (0.41) MAPTGAAMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114096536-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-02-25 CN claimed
CN-115485278-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors with E3 ligase ligands and methods of use thereof 百济神州有限公司 2022-12-16 CN disclosed
CN-115335376-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitor with E3 ligase ligand and methods of use thereof 百济神州有限公司 2022-11-11 CN disclosed
CN-115073474-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-09-20 CN disclosed
CN-115028639-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-09-09 CN disclosed
CN-114341127-A Aminopyrazine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-04-12 CN disclosed
CN-114096536-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-02-25 CN disclosed
CN-113166139-A Pyrrolo [2,3-b ] pyridines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-07-23 CN disclosed