SCHEMBL19243778

SCHEMBL19243778

Cc1ccc(Nc2cc(Br)ncc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RAB9A P51151 2/20 0.41
▸ DHFR P00374 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ ELAVL1 Q15717 1/20 0.39
▸ EGFR P00533 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL4004912 0.83 MAPT (0.48) GAAMAPTTDP1KDM4EGFER
SCHEMBL15286061 0.80 KDM4E (0.47) GAAMAPTKDM4ESMN1; SMN2MEN1
SCHEMBL11792172 0.75 GAA (0.62) GAAMAPTTDP1KDM4ENPC1
SCHEMBL14247246 0.75 MAPT (0.58) GAAMAPTTDP1KDM4ENPC1
SCHEMBL30711414 0.73 UHRF1 (0.39) KMT2AEGFRUHRF1
SCHEMBL1584807 0.73 UHRF1 (0.39) KMT2AEGFRUHRF1
Hydrochloric Acid SCHEMBL20266526 0.72 UHRF1 (0.38) EGFRUHRF1
SCHEMBL16657411 0.71 GAA (0.58) GAAMAPTTDP1KDM4ENPC1
SCHEMBL22701403 0.70 MAPT (0.56) GAAMAPTTDP1KDM4ENPC1
SCHEMBL21697451 0.70 EGFR (0.47) GAAMAPTTDP1KDM4ENPC1

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-2831079-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2017-08-16 — — EP disclosed
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