SCHEMBL30224945

SCHEMBL30224945

COCCOCc1cc(NC2CCOC2)c2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 7/20 0.39
PDE1A P54750 4/20 0.39
PDE1C Q14123 4/20 0.36
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
CSF1R P07333 1/20 0.35
ADORA3 P0DMS8 3/20 0.33
ADORA2A P29274 3/20 0.33
ADORA2B P29275 3/20 0.33
ADORA1 P30542 3/20 0.33
BRD4 O60885 2/20 0.33
CARM1 Q86X55 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 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
SCHEMBL30224759 0.94 CSF1R (0.40) PDE1BPDE1AKITFLT3CSF1R
SCHEMBL27237572 0.94 CSF1R (0.40) PDE1BPDE1AKITFLT3CSF1R
SCHEMBL30224873 0.94 CSF1R (0.40) PDE1BPDE1AKITFLT3CSF1R
SCHEMBL27237575 0.93 TUBB4A (0.34) PDE1BPDE1AKITFLT3CSF1R
SCHEMBL30224954 0.93 TUBB4A (0.34) PDE1BPDE1AKITFLT3CSF1R
SCHEMBL24988874 0.90 CSF1R (0.40) PDE1BPDE1AKITFLT3CSF1R
SCHEMBL30224124 0.90 CSF1R (0.40) PDE1BPDE1AKITFLT3CSF1R
SCHEMBL30848980 0.89 NPY5R (0.34) PDE1BPDE1AKITFLT3CSF1R
SCHEMBL29185295 0.89 NPY5R (0.34) PDE1BPDE1AKITFLT3CSF1R
SCHEMBL29185302 0.88 ADORA2A (0.35) KITCSF1RADORA2AADORA1TUBB4A

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-117794917-A Novel indole derivatives, pharmaceutical compositions containing the same and uses thereof 水疗免疫疗法有限公司 2024-03-29 CN claimed
CN-117794917-A Novel indole derivatives, pharmaceutical compositions containing the same and uses thereof 水疗免疫疗法有限公司 2024-03-29 CN disclosed
WO-2023013994-A1 NOVEL INDOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 주식회사 미토이뮨테라퓨틱스 2023-02-09 WO disclosed