SCHEMBL9848536

SCHEMBL9848536

Nc1c(Cl)ncnc1Nn1ccc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.46
▸ MAPT P10636 6/20 0.43
▸ HTT P42858 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.39
▸ HPGD P15428 1/20 0.37
▸ GALR3 O60755 1/20 0.36
▸ GAA P10253 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CDC7 O00311 1/20 0.35

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
SCHEMBL8543535 0.72 KDM4C (0.42) MAPTHTTKDM4ERAB9ALMNA
SCHEMBL9194028 0.72 SLC6A2 (0.46) SLC6A2MAPTHTTRAB9ALMNA
SCHEMBL9445587 0.71 SLC6A2 (0.48) SLC6A2KMT2AMEN1NPC1CDK2
SCHEMBL9191384 0.69 SLC6A2 (0.42) SLC6A2HTTRAB9ASMN1; SMN2NPC1
SCHEMBL9197685 0.68 PI4KA (0.49) SLC6A2HTT
SCHEMBL9445604 0.68 SLC6A2 (0.47) SLC6A2HTTRAB9AKMT2AMEN1
SCHEMBL1898192 0.66 EGFR (0.53) MAPTHTTKDM4ERAB9ALMNA
SCHEMBL8571941 0.66 SLC6A2 (0.51) SLC6A2MAPTKDM4ELMNAKMT2A
SCHEMBL3263590 0.65 SLC6A2 (0.58) SLC6A2HTTKDM4ERAB9ALMNA
SCHEMBL9445623 0.65 SLC6A2 (0.62) SLC6A2MAPTCDC7CDK2ROCK1

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-0417584-A2 N-substituted-4-pyrimidinamines and -pyrimidindiamines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-03-20 — — EP disclosed
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