SCHEMBL19623526

SCHEMBL19623526

Cc1ccc(NCCCN2CCN(C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ MBTD1 Q05BQ5 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ SRC P12931 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ BACE1 P56817 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ NOS3 P29474 1/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42

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
SCHEMBL14924426 0.90 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1GAASIGMAR1
SCHEMBL8245727 0.87 USP2 (0.56) MAPTSMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL3576656 0.85 LMNA (0.51) MAPTRAB9AKMT2AALDH1A1SRC
SCHEMBL11096321 0.85 SIGMAR1 (0.56) MAPTRAB9AKMT2AALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL4809788 0.84 LMNA (0.50) MAPTRAB9AKMT2AALDH1A1SRC
SCHEMBL14262613 0.81 KMT2A (0.43) MAPTRAB9AKMT2AALDH1A1BACE1
SCHEMBL8276884 0.81 FABP6 (0.43) MAPTSMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL5929366 0.79 SRC (0.45) RAB9AKMT2AALDH1A1SRCGAA
SCHEMBL2378167 0.79 KMT2A (0.70) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL13102339 0.77 MAPT (0.57) MAPTMBTD1L3MBTL1KMT2AALDH1A1

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-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 — — EP disclosed
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