SCHEMBL28567884

SCHEMBL28567884

CNc1cc(Oc2cccc3c2ccn3-c2cnn(C)c2)nc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 4/20 0.39
▸ AXL P30530 4/20 0.37
▸ MERTK Q12866 3/20 0.37
▸ NTRK1 P04629 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TYRO3 Q06418 4/20 0.33
▸ MAP4K1 Q92918 1/20 0.32
▸ PTGS2 P35354 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ HTR3A P46098 2/20 0.31
▸ RHEB Q15382 1/20 0.31
▸ IRAK4 Q9NWZ3 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
Hydrochloric Acid SCHEMBL28574601 0.99 LOXL2 (0.39) LOXL2AXLMERTKNTRK1SYK
SCHEMBL18072475 0.85 LOXL2 (0.55) LOXL2AXLMERTKSYKKDM4E
SCHEMBL18049928 0.85 LOXL2 (0.55) LOXL2
Hydrochloric Acid SCHEMBL18050037 0.84 LOXL2 (0.55) LOXL2
SCHEMBL19739420 0.82 LOXL2 (0.37) LOXL2AXLMERTKSYKMAP4K1
SCHEMBL28510258 0.82 TYRO3 (0.36) LOXL2AXLMERTKSYKTYRO3
SCHEMBL19755757 0.73 LOXL2 (0.40) LOXL2SYKNPSR1MAP4K1HTR3A
SCHEMBL19755754 0.73 LOXL2 (0.41) LOXL2SYKMAP4K1HTR3AIRAK4
SCHEMBL28906716 0.72 LOXL2 (0.35) LOXL2SYKTYRO3MAP4K1HTR3A
SCHEMBL18361992 0.70 LOXL2 (0.38) LOXL2SYKTYRO3MAP4K1LRRK2

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-107592861-B Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof 法玛克亚公司 2021-06-08 — — CN disclosed
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