SCHEMBL19142115

SCHEMBL19142115

C=C1NCCc2ccc(C)cc21

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.69
PARP1 P09874 5/20 0.69
PARP11 Q9NR21 2/20 0.50
METAP1 P53582 2/20 0.43
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
CYP19A1 P11511 4/20 0.41
CYP11B2 P19099 2/20 0.41
NPY5R Q15761 1/20 0.37
GRM5 P41594 1/20 0.36
TYMS P04818 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL31585995 0.81 PARP10 (1.00) PARP10PARP1PARP11F7F3
SCHEMBL2619126 0.81 PARP10 (1.00) PARP10PARP1PARP11F7F3
SCHEMBL13090790 0.81 PARP10 (0.49) PARP10PARP1PARP11METAP1CYP19A1
SCHEMBL16369423 0.77 GFER (0.44) PARP10PARP1PARP11F7F3
SCHEMBL15850581 0.75 PARP10 (0.41) PARP10PARP1PARP11F7F3
SCHEMBL1159918 0.72 PARP10 (0.59) PARP10PARP1PARP11F7F3
SCHEMBL426519 0.72 PARP10 (0.56) PARP10PARP1PARP11GRM5
SCHEMBL30564582 0.72 PARP10 (0.56) PARP10PARP1PARP11GRM5
SCHEMBL15830755 0.71 PARP10 (0.81) PARP10PARP1PARP11METAP1F7
Hydrochloric Acid SCHEMBL549603 0.71 PARP10 (0.55) PARP10PARP1PARP11GRM5

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
WO-2024039883-A2 COMPOSITIONS AND METHODS TO TREAT MYELOPROLIFERATIVE DISORDERS AND MYELOPROLIFERATIVE NEOPLASMS TRANSLATIONAL DRUG DEVELOPMENT LLC (US) 2024-02-22 WO disclosed
EP-2046799-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH INC (US) 2017-07-19 EP disclosed