SCHEMBL30104836

SCHEMBL30104836

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
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
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
PIM1 P11309 13/20 0.34
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL30720013 0.86 PARP1 (0.47) PARP1PSEN1PSEN2APH1BNCSTN
SCHEMBL30720004 0.83 PARP1 (0.39) PARP1PSEN1PSEN2APH1BNCSTN
SCHEMBL30104795 0.77 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16091685 0.73 PARP1 (0.33) PARP1
SCHEMBL24640536 0.71 CDK4 (0.42) PARP1
SCHEMBL24640571 0.71 PARP1 (0.47) PARP1PARP10PARP11
SCHEMBL30104859 0.71 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24640273 0.68 NR3C1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24080850 0.66 KDM5B (0.35)
SCHEMBL24639703 0.65 HTR2C (0.43) PARP1PSEN1PSEN2APH1BNCSTN

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