SCHEMBL28995798

SCHEMBL28995798

Cc1nc2cc(Br)ncc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ POLB P06746 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PKM P14618 1/20 0.35
▸ HTT P42858 1/20 0.34

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
SCHEMBL7914270 0.80 MAPT (0.44) SMN1; SMN2POLBMAPTKDM4EHPGD
SCHEMBL8982 0.74 TYMS (0.49) SMN1; SMN2POLBMAPTKDM4EHPGD
SCHEMBL13041691 0.74 ALDH1A1 (0.59) SMN1; SMN2POLBMAPTKDM4EHPGD
SCHEMBL30065191 0.74 MAPT (0.50) SMN1; SMN2POLBMAPTKDM4EHPGD
SCHEMBL28394278 0.74 MAPT (0.50) SMN1; SMN2POLBMAPTKDM4EHPGD
SCHEMBL12213872 0.72 MAPT (0.68) SMN1; SMN2POLBMAPTKDM4EHPGD
SCHEMBL24625406 0.72 KDM4E (0.53) SMN1; SMN2POLBMAPTKDM4EHPGD
SCHEMBL7214734 0.72 HSP90AA1 (0.51) SMN1; SMN2POLBMAPTKDM4EHPGD
SCHEMBL18288212 0.71 MAPT (0.47) SMN1; SMN2POLBMAPTKDM4EHPGD
SCHEMBL26423018 0.71 CYP2A6 (0.41) SMN1; SMN2MAPTKDM4EHPGDALDH1A1

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-116057045-A Fibroblast growth factor receptor kinase inhibitors 金耐特生物制药公司 2023-05-02 — — CN disclosed
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