SCHEMBL28505584

SCHEMBL28505584

CNc1ccnc(Oc2cccc3c2ccn3-c2ccc(F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 3/20 0.41
▸ RHEB Q15382 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.36
▸ MET P08581 11/20 0.35
▸ KIT P10721 2/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ ROCK1 Q13464 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ RIPK3 Q9Y572 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
Hydrochloric Acid SCHEMBL28507679 0.99 GRM1 (0.41) GRM1RHEBFFAR4METKIT
SCHEMBL28507659 0.85 PIP4K2A (0.38) GRM1FFAR4METROCK1
Hydrochloric Acid SCHEMBL28506157 0.85 PIP4K2A (0.38) GRM1FFAR4METROCK1
SCHEMBL28510258 0.83 TYRO3 (0.36) RHEBROCK1KDR
SCHEMBL28516108 0.81 APP (0.39) GRM1RHEB
SCHEMBL28515086 0.81 LOXL2 (0.38) RHEBMETROCK1
SCHEMBL18049205 0.80 LOXL2 (0.47) ROCK1
Hydrochloric Acid SCHEMBL28503674 0.80 APP (0.38) GRM1RHEB
Hydrochloric Acid SCHEMBL28905577 0.80 LOXL2 (0.37) RHEBMETROCK1
Hydrochloric Acid SCHEMBL18049347 0.80 LOXL2 (0.47) ROCK1

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
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