SCHEMBL21416772

SCHEMBL21416772

C=C(CC)Nc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ CFTR P13569 1/20 0.43
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PTGS1 P23219 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ KIF11 P52732 2/20 0.38
▸ PKM P14618 1/20 0.37

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
SCHEMBL13184649 0.81 ALDH1A1 (0.44) MAPTALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL2235637 0.76 CYP1A2 (0.55) MAPTALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL356011 0.76 ALDH1A1 (0.54) MAPTALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL16060789 0.74 KDM4E (0.57) MAPTALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL14568587 0.74 CFTR (0.51) MAPTALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL5502180 0.73 ALDH1A1 (0.50) MAPTALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL115650 0.73 ALDH1A1 (0.59) MAPTALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL356336 0.73 L3MBTL1 (0.51) MAPTALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL11874548 0.73 ALDH1A1 (0.52) MAPTALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL5493842 0.72 SMN1; SMN2 (0.59) MAPTALDH1A1KDM4EL3MBTL1MEN1

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
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 — — EP disclosed
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