SCHEMBL28906716

SCHEMBL28906716

[CH2]c1ccnc(Oc2cccc3c2ccn3-c2cnn(C)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 3/20 0.35
▸ RHEB Q15382 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ ROCK1 Q13464 4/20 0.34
▸ MAP4K1 Q92918 1/20 0.33
▸ TYRO3 Q06418 1/20 0.32
▸ HTR3A P46098 8/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL28510258 0.86 TYRO3 (0.36) LOXL2RHEBSYKROCK1MAP4K1
SCHEMBL18049133 0.85 LOXL2 (0.44) LOXL2ROCK1
Hydrochloric Acid SCHEMBL18049171 0.84 LOXL2 (0.44) LOXL2ROCK1
SCHEMBL18361990 0.81 LOXL2 (0.57) LOXL2RHEBSYKROCK1MAP4K1
SCHEMBL18361992 0.79 LOXL2 (0.38) LOXL2RHEBSYKMAP4K1TYRO3
SCHEMBL19755754 0.74 LOXL2 (0.41) LOXL2SYKROCK1MAP4K1HTR3A
SCHEMBL19755757 0.74 LOXL2 (0.40) LOXL2SYKMAP4K1HTR3A
SCHEMBL20337899 0.73 ROCK1 (0.55) RHEBROCK1
SCHEMBL18361988 0.73 FFAR4 (0.39) SYKROCK1MAP4K1HTR3AFFAR4
SCHEMBL19739420 0.72 LOXL2 (0.37) LOXL2RHEBSYKMAP4K1HTR3A

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-107624110-B Lysyl oxidase-like 2 inhibitors and uses thereof 法玛克亚公司 2021-01-26 — — CN disclosed
Send feedback