SCHEMBL17680680

SCHEMBL17680680

C=C1C[C@H](C)Oc2c(cccc2C(=O)Nc2cccc(-c3cnco3)c2)N1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 10/20 0.82
BRD4 O60885 9/20 0.82
BRAF P15056 1/20 0.41
IMPDH2 P12268 1/20 0.40
EDNRA P25101 1/20 0.39
LIMK2 P53671 1/20 0.39
F2R P25116 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
JAK3 P52333 1/20 0.37
HDAC4 P56524 1/20 0.37

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
SCHEMBL22360968 0.90 CREBBP (1.00) CREBBPBRD4
SCHEMBL17680591 0.90 CREBBP (1.00) CREBBPBRD4
SCHEMBL17680753 0.90 CREBBP (1.00) CREBBPBRD4
SCHEMBL17680684 0.77 CREBBP (0.71) CREBBPBRD4BRAFIMPDH2EDNRA
SCHEMBL17680615 0.77 CREBBP (1.00) CREBBPBRD4
SCHEMBL22368797 0.74 BRD4 (0.59) CREBBPBRD4BRAFIMPDH2EDNRA
SCHEMBL22369018 0.73 CREBBP (0.77) CREBBPBRD4
SCHEMBL22368807 0.73 CREBBP (0.73) CREBBPBRD4BRAFIMPDH2F2R
SCHEMBL17680979 0.71 CREBBP (0.80) CREBBPBRD4
SCHEMBL17680595 0.70 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