SCHEMBL20124995

SCHEMBL20124995

Cc1cc(F)c2nccn2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
TNKS O95271 2/20 0.40
NUDT1 P36639 1/20 0.36
HDAC6 Q9UBN7 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ACKR3 P25106 1/20 0.32
ADORA2A P29274 1/20 0.31
HDAC1 Q13547 1/20 0.30
HTR2C P28335 1/20 0.30
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30

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
SCHEMBL24087286 0.80 L3MBTL1 (0.43) L3MBTL1TNKSNUDT1HDAC6CYP1A2
SCHEMBL2260742 0.80 L3MBTL1 (0.67) L3MBTL1TNKSNUDT1ACKR3HTR2C
SCHEMBL13821670 0.78 L3MBTL1 (0.50) L3MBTL1TNKSNUDT1ACKR3ADORA2A
SCHEMBL20125026 0.78 L3MBTL1 (0.46) L3MBTL1TNKSNUDT1ACKR3ADORA2A
SCHEMBL25310988 0.77 NUDT1 (0.45) L3MBTL1TNKSNUDT1ADORA2AHTR2C
SCHEMBL1348141 0.77 L3MBTL1 (0.62) L3MBTL1TNKSNUDT1HDAC6HDAC1
SCHEMBL20125017 0.77 L3MBTL1 (0.41) L3MBTL1TNKSNUDT1
SCHEMBL15828611 0.77 TNKS (0.43) L3MBTL1TNKSNUDT1
SCHEMBL24857525 0.76 L3MBTL1 (0.47) L3MBTL1TNKSNUDT1HDAC6CYP3A4
Hydrochloric Acid SCHEMBL31600948 0.76 NUDT1 (0.44) L3MBTL1NUDT1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091604-A1 ADENOSINE RECEPTOR ANTAGONISTS CROSSIGNAL THERAPEUTICS, INC. (US) 2023-05-25 WO disclosed
WO-2023064361-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
WO-2023034812-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-03-09 WO disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed