SCHEMBL29846917

SCHEMBL29846917

CN1CCN(c2ccc(Nc3ncc4cccc(-c5cccc(N)c5)c4n3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.70
BRD4 O60885 3/20 0.70
EGFR P00533 2/20 0.57
MAP4K1 Q92918 1/20 0.56
FGFR1 P11362 2/20 0.56
KDR P35968 1/20 0.56
FLT3 P36888 1/20 0.56
FGFR2 P21802 2/20 0.55
JAK3 P52333 1/20 0.54
MAPKAPK2 P49137 1/20 0.53
ALK Q9UM73 1/20 0.53
CDK4 P11802 5/20 0.52
CCND1 P24385 2/20 0.52
CCND2 P30279 2/20 0.52
CCND3 P30281 2/20 0.52
AURKA O14965 3/20 0.52
TTK P33981 1/20 0.51
JUN P05412 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPK10 P53779 1/20 0.51

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
SCHEMBL16514362 1.00 JAK2 (0.70) JAK2BRD4EGFRMAP4K1FGFR1
SCHEMBL16514799 0.89 JAK2 (0.66) JAK2BRD4EGFRFGFR2CDK4
SCHEMBL16513630 0.89 JAK2 (0.56) JAK2BRD4EGFRMAP4K1FGFR1
SCHEMBL29847837 0.89 JAK2 (0.56) JAK2BRD4EGFRMAP4K1FGFR1
SCHEMBL16514760 0.88 JAK2 (0.56) JAK2BRD4EGFRFGFR1FGFR2
SCHEMBL29847922 0.88 JAK2 (0.56) JAK2BRD4EGFRFGFR1FGFR2
SCHEMBL16515483 0.88 FGFR2 (0.71) JAK2BRD4EGFRFGFR1KDR
SCHEMBL29848096 0.88 FGFR2 (0.71) JAK2BRD4EGFRFGFR1KDR
SCHEMBL16823187 0.88 JAK2 (0.56) JAK2BRD4EGFRMAP4K1FGFR1
SCHEMBL16513407 0.87 BRD4 (0.59) JAK2BRD4EGFRMAP4K1FGFR1

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
CN-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 CN disclosed