SCHEMBL18533994

SCHEMBL18533994

NN1CCN(c2nccc(Cl)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 1/20 0.47
▸ RPS6KA5 O75582 2/20 0.41
▸ RPS6KA4 O75676 2/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ADRB1 P08588 1/20 0.37
▸ SORD Q00796 2/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37

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
SCHEMBL15887424 0.84 PANK3 (0.48) PANK3RPS6KA5RPS6KA4MEN1KMT2A
SCHEMBL31008978 0.83 PANK3 (0.47) PANK3RPS6KA5RPS6KA4MEN1KMT2A
SCHEMBL22576020 0.83 PANK3 (0.47) PANK3RPS6KA5RPS6KA4MEN1KMT2A
SCHEMBL3509457 0.83 ALDH1A1 (0.47) PANK3RPS6KA5RPS6KA4MAPTADRB1
SCHEMBL4042112 0.82 HTR3A (0.53) PANK3
SCHEMBL2088418 0.81 ALDH1A1 (0.46) PANK3RPS6KA5RPS6KA4MEN1KMT2A
SCHEMBL28790483 0.79 MAPT (0.66) PANK3KMT2ALMNAMAPTSORD
SCHEMBL11314201 0.79 ACHE (0.50) PANK3RPS6KA5RPS6KA4MEN1KMT2A
SCHEMBL1110254 0.79 PIK3CA (0.54) PANK3MEN1KMT2AMAPTPIK3CD
SCHEMBL5758330 0.79 ADRB1 (0.59) PANK3MEN1KMT2AADRB1

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-2805947-B1 PIPERAZINYL PYRIMIDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF INST PHARMACOLOGY & TOXICOLOGY ACAD MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2017-02-22 — — EP disclosed
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