SCHEMBL29847832

SCHEMBL29847832

C=CC(=O)Nc1cc(-c2cccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)ccn1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.66
FGFR2 P21802 2/20 0.65
JAK3 P52333 5/20 0.61
JAK2 O60674 4/20 0.61
JAK1 P23458 4/20 0.61
TYK2 P29597 2/20 0.61
BTK Q06187 4/20 0.59
FGFR1 P11362 2/20 0.55
KDR P35968 2/20 0.55
TTK P33981 1/20 0.54
FLT3 P36888 2/20 0.54
BLK P51451 2/20 0.54
JUN P05412 1/20 0.53
MAPK8 P45983 1/20 0.53
MAPK10 P53779 1/20 0.53

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
SCHEMBL16513680 1.00 EGFR (0.66) EGFRFGFR2JAK3JAK2JAK1
SCHEMBL16514873 0.91 EGFR (0.61) EGFRFGFR2JAK3JAK2JAK1
SCHEMBL16514536 0.91 EGFR (0.70) EGFRFGFR2JAK3JAK2JAK1
SCHEMBL16514927 0.91 EGFR (0.65) EGFRFGFR2JAK3JAK2JAK1
SCHEMBL16513980 0.90 EGFR (0.81) EGFRFGFR2JAK3JAK2JAK1
SCHEMBL29847865 0.90 EGFR (0.81) EGFRFGFR2JAK3JAK2JAK1
SCHEMBL16515112 0.90 EGFR (0.83) EGFRFGFR2JAK3JAK2BTK
SCHEMBL16514018 0.88 FGFR2 (0.83) EGFRFGFR2JAK3JAK2JAK1
SCHEMBL16513694 0.88 EGFR (0.69) EGFRFGFR2JAK3JAK2JAK1
SCHEMBL29847929 0.88 EGFR (0.69) EGFRFGFR2JAK3JAK2JAK1

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