SCHEMBL29848096

SCHEMBL29848096

Nc1cccc(-c2cccc3cnc(Nc4ccc(N5CCN(CCO)CC5)cc4)nc23)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 3/20 0.71
FGFR1 P11362 3/20 0.59
KDR P35968 3/20 0.59
JAK2 O60674 2/20 0.56
BRD4 O60885 1/20 0.56
EGFR P00533 1/20 0.53
WEE1 P30291 1/20 0.50
JUN P05412 1/20 0.50
MAPK8 P45983 1/20 0.50
MAPK10 P53779 1/20 0.50
SYK P43405 2/20 0.49
TTK P33981 2/20 0.48
PTK2 Q05397 6/20 0.48
STAT6 P42226 1/20 0.47

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
SCHEMBL16515483 1.00 FGFR2 (0.71) FGFR2FGFR1KDRJAK2BRD4
SCHEMBL21155993 0.89 FGFR2 (0.75) FGFR2FGFR1KDRJAK2BRD4
SCHEMBL16514362 0.88 JAK2 (0.70) FGFR2FGFR1KDRJAK2BRD4
SCHEMBL29846917 0.88 JAK2 (0.70) FGFR2FGFR1KDRJAK2BRD4
SCHEMBL19119650 0.85 FGFR2 (0.81) FGFR2FGFR1KDRJAK2BRD4
SCHEMBL16514799 0.85 JAK2 (0.66) FGFR2JAK2BRD4EGFRJUN
SCHEMBL29847922 0.84 JAK2 (0.56) FGFR2FGFR1JAK2BRD4EGFR
SCHEMBL16514760 0.84 JAK2 (0.56) FGFR2FGFR1JAK2BRD4EGFR
SCHEMBL16823187 0.84 JAK2 (0.56) FGFR2FGFR1KDRJAK2BRD4
SCHEMBL16513666 0.83 FGFR2 (1.00) FGFR2FGFR1KDRJAK2BRD4

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