SCHEMBL1030916

SCHEMBL1030916

O=C(O)N1CCN(c2ncnc3cnc(F)cc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 12/20 0.62
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
MTNR1B P49286 2/20 0.46
KIT P10721 2/20 0.42
ENPP1 P22413 1/20 0.42
PDGFRA P16234 2/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
AKT3 Q9Y243 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL1030271 0.82 PDGFRB (0.56) PDGFRBACHEBACE1MTNR1BKIT
SCHEMBL1032708 0.78 PDGFRB (1.00) PDGFRBKITPDGFRA
SCHEMBL16637012 0.76 PDGFRB (0.52) PDGFRBACHEBACE1KITPDGFRA
SCHEMBL16637014 0.76 PDGFRB (0.52) PDGFRBACHEBACE1KITPDGFRA
SCHEMBL16637875 0.74 PDGFRB (0.49) PDGFRBACHEBACE1KITENPP1
SCHEMBL21839989 0.74 PDGFRB (0.49) PDGFRBACHEBACE1KITPDGFRA
Hydrochloric Acid SCHEMBL2915718 0.74 ACHE (0.80) PDGFRBACHEBACE1KITENPP1
SCHEMBL16637244 0.74 KRAS (0.52) PDGFRBACHEBACE1
SCHEMBL16637441 0.73 CYP3A4 (0.51) PDGFRBKITAKT1AKT2AKT3
SCHEMBL22631342 0.73 ACHE (0.53) PDGFRBACHEBACE1MTNR1BKIT

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-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
EP-1067123-B1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2011-01-19 EP disclosed