SCHEMBL24457967

SCHEMBL24457967

Cc1cc(C(F)(F)F)cc2c1NCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 5/20 0.42
▸ PARP1 P09874 2/20 0.42
▸ HTR2A P28223 3/20 0.37
▸ HTR2C P28335 3/20 0.37
▸ HTR2B P41595 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ PARP11 Q9NR21 3/20 0.36
▸ S1PR1 P21453 1/20 0.35
▸ AR P10275 2/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ ASIC3 Q9UHC3 1/20 0.33

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
SCHEMBL21866002 0.81 PARP10 (0.42) PARP10PARP1HTR2AHTR2CHTR2B
SCHEMBL21865762 0.80 PARP10 (0.41) PARP10PARP1HTR2AHTR2CHTR2B
SCHEMBL24457969 0.77 PARP10 (0.37) PARP10PARP1HTR2AHTR2CMEN1
SCHEMBL17433704 0.76 PARP10 (0.43) PARP10PARP1HTR2AHTR2CHTR2B
SCHEMBL8651032 0.73 DRD2 (0.46) PARP10PARP1HTR2BMEN1CASP1
SCHEMBL24457975 0.73 MEN1 (0.41) PARP10PARP1HTR2AHTR2CHTR2B
SCHEMBL8648955 0.73 PARP10 (0.41) PARP10PARP1HTR2AHTR2CHTR2B
SCHEMBL19684578 0.71 ASIC3 (0.43) PARP10PARP1HTR2AHTR2CHTR2B
SCHEMBL24457970 0.70 DRD2 (0.40) PARP10PARP1PARP11KDM1A
SCHEMBL14330930 0.70 ADRA2A (0.41) PARP10PARP1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022109001-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2022-05-27 — — WO disclosed
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