SCHEMBL30391007

SCHEMBL30391007

Nc1cc(F)c(I)cc1N

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.39
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA9 Q16790 1/20 0.35
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL19884912 1.00 PTK2 (0.39) PTK2ALDH1A1CA1CA2CA3
SCHEMBL28566129 0.86 ALDH1A1 (0.40) PTK2ALDH1A1CA1CA2CA3
SCHEMBL219912 0.86 ALDH1A1 (0.40) PTK2ALDH1A1CA1CA2CA3
SCHEMBL27728516 0.79 ALDH1A1 (0.37) ALDH1A1CA1CA2CA3CA9
SCHEMBL21834387 0.79 ALDH1A1 (0.35) ALDH1A1CA1CA2CA3CA9
SCHEMBL26512765 0.79 CYP3A4 (0.46) ALDH1A1CA1CA2CA3CA9
SCHEMBL27728509 0.79 ALDH1A1 (0.37) ALDH1A1CA1CA2CA3CA9
SCHEMBL21834381 0.79 GAA (0.50) ALDH1A1CA1CA2CA3CA9
SCHEMBL15575436 0.79 CYP3A4 (0.46) ALDH1A1CA1CA2CA3CA9
SCHEMBL14129494 0.77 CA1 (0.32) CA1CA2CA3CA9HTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116057045-A Fibroblast growth factor receptor kinase inhibitors 金耐特生物制药公司 2023-05-02 CN disclosed
EP-4161656-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES Kinnate Biopharma Inc. (US) 2023-04-12 EP disclosed