SCHEMBL22912994

SCHEMBL22912994

NNc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCC(F)(F)F)CN3c2ccccc2)cc1N

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 16/20 0.72
DDR2 Q16832 3/20 0.68
NPC1L1 Q9UHC9 4/20 0.59

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
SCHEMBL22912943 0.85 DDR1 (0.69) DDR1NPC1L1
SCHEMBL18373897 0.84 DDR1 (1.00) DDR1DDR2
SCHEMBL18374194 0.83 DDR1 (1.00) DDR1DDR2
SCHEMBL18373877 0.83 DDR1 (1.00) DDR1DDR2
SCHEMBL20187228 0.82 DDR1 (0.73) DDR1DDR2NPC1L1
SCHEMBL18374173 0.81 DDR1 (0.81) DDR1DDR2
SCHEMBL18374134 0.81 DDR1 (1.00) DDR1DDR2
SCHEMBL18373876 0.81 DDR1 (1.00) DDR1DDR2
SCHEMBL22913945 0.81 DDR1 (0.69) DDR1DDR2NPC1L1
SCHEMBL18374540 0.80 DDR1 (0.85) DDR1DDR2

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
EP-3317279-B1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed