SCHEMBL21783643

SCHEMBL21783643

Nc1cnc2c(ccn2CC2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.40
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
MAP3K5 Q99683 1/20 0.36
GRIN2B Q13224 1/20 0.36
JAK1 P23458 2/20 0.35
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
HTR7 P34969 1/20 0.34
KDM1A O60341 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPK14 Q16539 1/20 0.33

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
SCHEMBL20731030 0.94 CYP1A2 (0.38) GRM2PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL15712202 0.93 PKM (0.38) GRM2GRIN2BJAK1JAK2HDAC6
SCHEMBL7859822 0.82 HTR7 (0.42) GRM2MAP3K5GRIN2BJAK1JAK2
SCHEMBL15339573 0.82 GRIN2B (0.41) GRM2MAP3K5GRIN2BJAK1JAK2
SCHEMBL21783750 0.79 MAP3K5 (0.39) GRM2PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL21783728 0.78 MAP3K5 (0.36) GRM2MAP3K5GRIN2BJAK1JAK2
SCHEMBL21783749 0.78 JAK1 (0.39) GRM2MAP3K5GRIN2BJAK1JAK2
SCHEMBL20731183 0.78 CDK1 (0.36) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL31219317 0.78 CDK1 (0.36) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL24729940 0.77 GRIN2B (0.43) GRM2MAP3K5GRIN2BJAK1JAK2

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