SCHEMBL30104795

SCHEMBL30104795

CCc1c2n(c3ncc(C(F)(F)F)cc13)CCNC2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ADRB1 P08588 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ADRB2 P07550 1/20 0.32
NCF1 P14598 1/20 0.32
MCHR1 Q99705 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL24639703 0.84 HTR2C (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30104820 0.83 ADRB1 (0.35) ADRB1ADRB2NCF1MCHR1HTR2A
SCHEMBL31244671 0.79 HTR2A (0.36) ADRB1ADRB2NCF1HTR2AHTR2C
SCHEMBL30727490 0.77 HTR2A (0.31) HTR2AHTR2C
SCHEMBL24640273 0.77 NR3C1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30104836 0.77 PARP1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30104859 0.75 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24640572 0.69 ADRB2 (0.38) ADRB1MEN1KMT2AADRB2NCF1
SCHEMBL24640538 0.69 HTR2C (0.42) ADRB1ADRB2NCF1MCHR1HTR2A
SCHEMBL24639858 0.67 NR3C1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396485-A PARP7 inhibitors 轩竹生物科技股份有限公司 2024-01-12 CN disclosed
WO-2022247839-A1 PARP7 INHIBITOR 山东轩竹医药科技有限公司 2022-12-01 WO disclosed