SCHEMBL28089808

SCHEMBL28089808

CC(C)NC(=O)c1c[nH]c2ncc(-c3ccc(N)cc3)nc12

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.65
CYP2C9 P11712 1/20 0.65
JAK3 P52333 15/20 0.60
JAK2 O60674 12/20 0.60
JAK1 P23458 12/20 0.60

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
SCHEMBL2279041 0.83 SYK (0.83) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL19596097 0.82 JAK3 (0.67) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL17412959 0.82 SYK (0.57) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL18733444 0.82 SYK (0.57) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL12148017 0.82 JAK3 (0.80) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2282223 0.81 SYK (0.64) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2277240 0.80 SYK (0.69) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2282968 0.80 SYK (0.63) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2282301 0.80 SYK (0.63) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL14575030 0.80 ATR (0.56) SYKCYP2C9

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-105777756-A Heteroaryl compound and application thereof in medicines 广东东阳光药业有限公司 2016-07-20 CN disclosed