SCHEMBL23935170

SCHEMBL23935170

N/C(=C\NCc1nc2cnc3ccc(Cl)cc3c2[nH]1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.38
KLK5 Q9Y337 1/20 0.38
TDP1 Q9NUW8 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRA2 P47869 1/20 0.33
F10 P00742 1/20 0.33
NR4A2 P43354 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31

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
SCHEMBL23935054 0.87 KLK1 (0.37) KLK1KLK5TDP1GABRA1GABRG2
SCHEMBL18658675 0.81 KLK1 (0.34) KLK1KLK5TDP1GABRA1GABRG2
SCHEMBL18659011 0.80 KLK1 (0.33) KLK1KLK5TDP1GABRA1GABRG2
SCHEMBL18658913 0.78 KLK1 (0.35) KLK1KLK5TDP1GABRA1GABRG2
SCHEMBL18658914 0.77 TUBB4A (0.34) KLK1KLK5TDP1GABRA1GABRG2
SCHEMBL18658819 0.76 GABRA1 (0.41) TDP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL23935007 0.74 HTT (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18658825 0.74 KLK1 (0.34) KLK1KLK5TDP1GABRA1GABRG2
SCHEMBL25020880 0.73 HTT (0.42) TDP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL30154907 0.73 HTT (0.42) TDP1GABRA1GABRG2GABRB3GABRA5

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-3350178-B1 NOVEL IMIDAZO [4,5-C]QUINOLINE AND IMIDAZO [4,5-C][1,5]NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2021-10-20 EP disclosed