SCHEMBL29623639

SCHEMBL29623639

Nc1ccc(-n2cnc3ccc(O)cc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 7/20 0.57
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
SRC P12931 1/20 0.47
ATM Q13315 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44

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
SCHEMBL19350890 1.00 FGFR1 (0.57) FGFR1MAPTALDH1A1SMN1; SMN2ESR1
SCHEMBL14748166 0.90 FGFR1 (0.61) FGFR1MAPTALDH1A1SMN1; SMN2ESR1
SCHEMBL19350770 0.87 FGFR1 (0.71) FGFR1MAPTALDH1A1SMN1; SMN2ESR1
SCHEMBL20627632 0.86 FGFR1 (0.60) FGFR1MAPTALDH1A1SMN1; SMN2SRC
SCHEMBL12730486 0.83 FGFR1 (0.76) FGFR1ALDH1A1SRC
Hydrochloric Acid SCHEMBL7990178 0.82 FGFR1 (0.73) FGFR1ALDH1A1SRC
SCHEMBL31144722 0.81 FGFR1 (0.51) FGFR1MAPTALDH1A1SMN1; SMN2ATM
SCHEMBL3852532 0.77 FGFR1 (0.54) FGFR1MAPTALDH1A1SMN1; SMN2ATM
SCHEMBL28336824 0.77 FGFR1 (0.61) FGFR1ALDH1A1ESR1ESR2SRC
SCHEMBL19350738 0.77 FGFR1 (0.79) FGFR1MAPTALDH1A1SMN1; SMN2SRC

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-109071523-B Urea compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2022-05-31 CN disclosed