SCHEMBL19921699

SCHEMBL19921699

CCN1CCC(c2cc(-c3cnc4[nH]cc(C(F)(F)F)c4c3)nn2C(C)C)CC1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.82
DLK1 P80370 3/20 0.82

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
SCHEMBL18662172 0.92 MAP3K12 (0.77) MAP3K12DLK1
SCHEMBL15882777 0.90 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL15882739 0.90 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL19921669 0.90 MAP3K12 (0.77) MAP3K12DLK1
SCHEMBL15882748 0.88 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL15882480 0.86 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL15882525 0.86 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL15882678 0.81 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL15882600 0.80 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL15882766 0.79 MAP3K12 (1.00) MAP3K12DLK1

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-2945938-B1 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS HOFFMANN LA ROCHE (CH) 2018-03-07 EP disclosed