SCHEMBL17680957

SCHEMBL17680957

O=C1CCNc2c(/C=C/c3ccncc3)cccc2N1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 17/20 0.65
BRD4 O60885 13/20 0.65
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL22368597 0.89 CREBBP (0.61) CREBBPBRD4MAPT
SCHEMBL17680954 0.86 CREBBP (0.67) CREBBPBRD4MAPTSMN1; SMN2
SCHEMBL17680925 0.85 CREBBP (0.65) CREBBPBRD4
SCHEMBL22368776 0.85 CREBBP (0.49) CREBBPBRD4MAPT
SCHEMBL22369185 0.83 CREBBP (0.67) CREBBPBRD4
SCHEMBL17680921 0.82 CREBBP (0.67) CREBBPBRD4MAPTSMN1; SMN2KDM4E
SCHEMBL22368888 0.81 CREBBP (0.66) CREBBPBRD4
SCHEMBL22369183 0.80 CREBBP (0.65) CREBBPBRD4MAPTKDM4E
SCHEMBL19539030 0.80 CREBBP (0.63) CREBBPBRD4MAPTSMN1; SMN2KDM4E
SCHEMBL17680835 0.79 CREBBP (1.00) CREBBPBRD4

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
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed