SCHEMBL28628199

SCHEMBL28628199

Nc1ncnn2c(C3CCCN(C(=O)OCc4ccccc4)C3)nc(Br)c12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 12/20 0.48
JAK2 O60674 3/20 0.47
JAK1 P23458 3/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
CYP2C19 P33261 1/20 0.42
LCK P06239 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CSF1R P07333 1/20 0.40

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
SCHEMBL28628197 1.00 TNK2 (0.48) TNK2JAK2JAK1TYK2JAK3
SCHEMBL14654048 0.89 TNK2 (0.48) TNK2JAK2JAK1TYK2JAK3
SCHEMBL15929395 0.89 TNK2 (0.48) TNK2JAK2JAK1TYK2JAK3
SCHEMBL29926560 0.86 JAK2 (0.47) TNK2JAK2JAK1TYK2JAK3
SCHEMBL14313020 0.86 JAK2 (0.47) TNK2JAK2JAK1TYK2JAK3
SCHEMBL14313430 0.86 JAK2 (0.47) TNK2JAK2JAK1TYK2JAK3
SCHEMBL14313428 0.86 JAK2 (0.47) TNK2JAK2JAK1TYK2JAK3
SCHEMBL29854457 0.85 JAK2 (0.47) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL15929297 0.85 IGF1R (0.51) TNK2JAK2JAK1TYK2JAK3
SCHEMBL30898401 0.85 JAK2 (0.46) JAK2JAK1TYK2JAK3SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113336760-B Substituted amide derivatives, compositions and uses thereof 深圳市塔吉瑞生物医药有限公司 2022-11-04 CN disclosed
CN-113493439-B Substituted acrylamide derivative, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2022-10-14 CN disclosed
CN-113336760-A Substituted amide derivatives, compositions and uses thereof 深圳市塔吉瑞生物医药有限公司 2021-09-03 CN disclosed