SCHEMBL28668403

SCHEMBL28668403

Nc1nccn2c(C3CCCN(C(=O)OCc4ccccc4)C3)nc(I)c12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.51
TNK2 Q07912 5/20 0.49
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
TEC P42680 1/20 0.45
TXK P42681 1/20 0.45

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
SCHEMBL26359424 0.96 IGF1R (0.49) IGF1RTNK2JAK2JAK1
SCHEMBL14647470 0.90 IGF1R (0.51) IGF1RTNK2JAK2JAK1TYK2
SCHEMBL14647346 0.90 IGF1R (0.51) IGF1RTNK2JAK2JAK1TYK2
SCHEMBL593894 0.90 IGF1R (0.51) IGF1RTNK2
SCHEMBL15929297 0.90 IGF1R (0.51) IGF1RTNK2JAK2JAK1TYK2
SCHEMBL14654079 0.90 IGF1R (0.51) IGF1RTNK2JAK2JAK1TYK2
SCHEMBL30449939 0.85 IGF1R (0.49) IGF1RTNK2JAK2JAK1TYK2
SCHEMBL15929395 0.85 TNK2 (0.48) TNK2JAK2JAK1TYK2JAK3
SCHEMBL21050808 0.85 IGF1R (0.49) IGF1RTNK2JAK2JAK1
SCHEMBL28724598 0.85 IGF1R (0.49) IGF1RTNK2JAK2JAK1

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-109111446-B Heteroaryl compound with pharmaceutical activity 上海度德医药科技有限公司 2021-11-30 CN disclosed