SCHEMBL21783749

SCHEMBL21783749

CNc1cnc2c(ccn2CC2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.39
JAK2 O60674 2/20 0.39
TYK2 P29597 2/20 0.39
MAP3K5 Q99683 1/20 0.39
GABRG2 P18507 5/20 0.39
GABRB3 P28472 5/20 0.39
GABRA5 P31644 5/20 0.39
HDAC6 Q9UBN7 1/20 0.37
JAK3 P52333 1/20 0.37
GRIN2B Q13224 1/20 0.36
GRM2 Q14416 2/20 0.36
YTHDC1 Q96MU7 1/20 0.36
CNR2 P34972 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35

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 0.81 GRIN2B (0.41) JAK1JAK2TYK2MAP3K5GABRG2
SCHEMBL21783750 0.79 MAP3K5 (0.39) JAK1JAK2TYK2MAP3K5GABRG2
SCHEMBL7859822 0.78 HTR7 (0.42) JAK1JAK2TYK2MAP3K5HDAC6
SCHEMBL21783643 0.78 GRM2 (0.40) JAK1JAK2TYK2MAP3K5HDAC6
SCHEMBL21783728 0.78 MAP3K5 (0.36) JAK1JAK2TYK2MAP3K5HDAC6
SCHEMBL24729940 0.76 GRIN2B (0.43) JAK1JAK2TYK2MAP3K5GRIN2B
SCHEMBL23938080 0.73 GRIN2B (0.43) JAK1JAK2MAP3K5HDAC6GRIN2B
SCHEMBL20731030 0.73 CYP1A2 (0.38) JAK1JAK2HDAC6GRIN2BGRM2
SCHEMBL30794117 0.73 ALDH1A1 (0.41) JAK1JAK2TYK2MAP3K5GRM2
SCHEMBL15712202 0.72 PKM (0.38) JAK1JAK2HDAC6GRIN2BGRM2

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