SCHEMBL19669042

SCHEMBL19669042

O=C(Nc1ccncc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC(O)C1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ PHGDH O43175 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ IDE P14735 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ KDR P35968 2/20 0.37
▸ TRPV1 Q8NER1 2/20 0.37
▸ EGFR P00533 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ FYN P06241 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ BRAF P15056 2/20 0.36
▸ GPR142 Q7Z601 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
SCHEMBL19699045 1.00 CA2 (0.41) CA2CA9PHGDHJAK2JAK1
SCHEMBL17618814 0.91 HTR2C (0.46) CA2CA9PHGDHMAPTKDR
SCHEMBL17618431 0.91 CA2 (0.40) CA2CA9PHGDHKMOMAPT
SCHEMBL17618818 0.89 MPL (0.43) CA2CA9KMOFYNKDM1A
SCHEMBL17618798 0.89 FYN (0.36) CA2CA9JAK2KMOMAPT
SCHEMBL17618819 0.88 PHGDH (0.42) CA2CA9PHGDHKMOMAPT
SCHEMBL17618802 0.87 ALOX15 (0.44) CA2CA9KMOKDRFGFR1
SCHEMBL20632458 0.87 PHGDH (0.40) CA2CA9PHGDHKMOMAPT
SCHEMBL19361167 0.87 PHGDH (0.40) CA2CA9PHGDHKMOMAPT
SCHEMBL16238547 0.87 PHGDH (0.40) CA2CA9PHGDHKMOMAPT

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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