SCHEMBL19255019

SCHEMBL19255019

C[C@@H]1Cc2ccccc2N(C)C(=O)[C@H]1NC(=O)c1nnc(Cc2ccccc2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 19/20 0.50
NR1I2 O75469 1/20 0.42
CYP2C9 P11712 1/20 0.42
PYGL P06737 1/20 0.41
PYGM P11217 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
SCHEMBL19255053 1.00 RIPK1 (0.50) RIPK1NR1I2CYP2C9PYGLPYGM
SCHEMBL29415660 0.90 RIPK1 (0.48) RIPK1NR1I2CYP2C9PYGLPYGM
SCHEMBL19228225 0.90 RIPK1 (0.48) RIPK1NR1I2CYP2C9PYGLPYGM
SCHEMBL20050205 0.90 RIPK1 (0.48) RIPK1NR1I2CYP2C9PYGLPYGM
SCHEMBL19207646 0.90 RIPK1 (0.48) RIPK1NR1I2CYP2C9PYGLPYGM
SCHEMBL19207698 0.90 RIPK1 (0.48) RIPK1NR1I2CYP2C9PYGLPYGM
SCHEMBL19228222 0.90 RIPK1 (0.48) RIPK1NR1I2CYP2C9PYGLPYGM
SCHEMBL19207683 0.90 RIPK1 (0.48) RIPK1NR1I2CYP2C9PYGLPYGM
SCHEMBL19255319 0.87 RIPK1 (0.67) RIPK1
SCHEMBL19255504 0.87 RIPK1 (0.46) RIPK1NR1I2CYP2C9

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