SCHEMBL28454889

SCHEMBL28454889

Nc1ncnc2c(C3CCCN(C=CC=O)C3)cn(-c3ccc(Oc4ccccc4)cc3)c12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.48
RIPK2 O43353 1/20 0.42
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
YES1 P07947 1/20 0.42
LYN P07948 1/20 0.42
HCK P08631 1/20 0.42
SRC P12931 1/20 0.42
CSK P41240 1/20 0.42
TEC P42680 1/20 0.42
PTK6 Q13882 1/20 0.42

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
SCHEMBL22710626 0.85 BTK (0.56) BTKRIPK2EGFRLCKFYN
SCHEMBL5250649 0.84 TNK2 (0.47) BTKEGFRLCKFYNLYN
SCHEMBL23847508 0.83 TNK2 (0.48) BTKEGFRLCKFYNLYN
SCHEMBL21044860 0.83 BTK (0.69) BTKRIPK2EGFRLCKFYN
SCHEMBL21044818 0.83 BTK (0.69) BTKRIPK2EGFRLCKFYN
SCHEMBL11959218 0.83 BTK (0.69) BTKRIPK2EGFRLCKFYN
SCHEMBL21044817 0.80 BTK (0.53) BTKTEC
SCHEMBL28231422 0.79 BTK (0.49) BTKTEC
SCHEMBL23834462 0.79 BTK (0.45) BTKLCKTEC
SCHEMBL19230428 0.78 BTK (0.56) BTKLCKSRC

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-109851620-B Fused bicyclic compounds for inhibiting tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2020-08-07 CN disclosed