SCHEMBL29848145

SCHEMBL29848145

C=CC(=O)Nc1cccc(-c2c(Cl)ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc23)c1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.76
EGFR P00533 8/20 0.66
JAK3 P52333 6/20 0.66
JAK2 O60674 2/20 0.66
BLK P51451 1/20 0.66
BMX P51813 1/20 0.66
FGFR2 P21802 1/20 0.64
FGFR1 P11362 2/20 0.62
KDR P35968 1/20 0.62
SRC P12931 2/20 0.61
MAP3K7 O43318 2/20 0.61
MAPK1 P28482 1/20 0.61
MAP2K1 Q02750 1/20 0.61
JAK1 P23458 1/20 0.60
TYK2 P29597 1/20 0.60
FLT3 P36888 1/20 0.59

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
SCHEMBL16514136 1.00 BTK (0.76) BTKEGFRJAK3JAK2BLK
SCHEMBL16513752 0.92 EGFR (0.78) BTKEGFRJAK3JAK2BLK
SCHEMBL29847877 0.92 EGFR (0.78) BTKEGFRJAK3JAK2BLK
SCHEMBL16513688 0.91 BTK (0.75) BTKEGFRJAK3JAK2BLK
SCHEMBL29848247 0.91 BTK (0.75) BTKEGFRJAK3JAK2BLK
SCHEMBL16514405 0.91 BTK (0.69) BTKEGFRJAK3JAK2BLK
SCHEMBL29847638 0.91 BTK (0.69) BTKEGFRJAK3JAK2BLK
SCHEMBL16513723 0.91 BTK (0.62) BTKEGFRJAK3JAK2BLK
SCHEMBL29848055 0.91 BTK (0.62) BTKEGFRJAK3JAK2BLK
SCHEMBL16513731 0.91 FGFR1 (0.69) BTKEGFRJAK3JAK2BLK

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