SCHEMBL21783750

SCHEMBL21783750

CCc1cnc2c(ccn2CC2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.39
JAK1 P23458 5/20 0.38
GRM2 Q14416 3/20 0.38
JAK2 O60674 2/20 0.38
TYK2 P29597 2/20 0.38
GRIN2B Q13224 1/20 0.37
JAK3 P52333 1/20 0.35
KDM1A O60341 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GRIA2 P42262 1/20 0.34
GRIN2A Q12879 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL15339573 0.82 GRIN2B (0.41) MAP3K5JAK1GRM2JAK2TYK2
SCHEMBL21783643 0.79 GRM2 (0.40) MAP3K5JAK1GRM2JAK2TYK2
SCHEMBL7859822 0.79 HTR7 (0.42) MAP3K5JAK1GRM2JAK2TYK2
SCHEMBL21783749 0.79 JAK1 (0.39) MAP3K5JAK1GRM2JAK2TYK2
SCHEMBL21783728 0.79 MAP3K5 (0.36) MAP3K5JAK1GRM2JAK2TYK2
SCHEMBL24729940 0.77 GRIN2B (0.43) MAP3K5JAK1GRM2JAK2TYK2
SCHEMBL23937881 0.77 PARP1 (0.37) MAP3K5GRM2
SCHEMBL21704234 0.75 KMT2A (0.43) JAK2TYK2JAK3
SCHEMBL23938080 0.74 GRIN2B (0.43) MAP3K5JAK1GRM2JAK2GRIN2B
SCHEMBL20731030 0.74 CYP1A2 (0.38) JAK1GRM2JAK2GRIN2BKDM1A

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-2020047208-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed