SCHEMBL19255648

SCHEMBL19255648

O=C(NC1COCC2CCCN2C1=O)c1nnc(Cc2ccccc2)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 19/20 0.42
NR1I2 O75469 1/20 0.40
CYP2C9 P11712 1/20 0.40
PDE9A O76083 1/20 0.37
PDE1C Q14123 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
SCHEMBL19224398 1.00 RIPK1 (0.42) RIPK1NR1I2CYP2C9PDE9APDE1C
SCHEMBL19207651 1.00 RIPK1 (0.42) RIPK1NR1I2CYP2C9PDE9APDE1C
SCHEMBL19880641 0.93 RIPK1 (0.42) RIPK1NR1I2CYP2C9PDE9APDE1C
SCHEMBL20050166 0.84 TYK2 (0.30)
SCHEMBL19255745 0.80 RIPK1 (0.57) RIPK1
SCHEMBL19255757 0.80 RIPK1 (0.57) RIPK1
SCHEMBL19207711 0.80 RIPK1 (0.57) RIPK1
SCHEMBL19207654 0.80 RIPK1 (0.57) RIPK1
SCHEMBL19207637 0.76 NAMPT (0.46) RIPK1
SCHEMBL19207639 0.76 NAMPT (0.46) RIPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed