SCHEMBL24378424

SCHEMBL24378424

CNCCNC(=O)c1cc2nc(Cl)cc(N3CCOCC3)n2n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
PIK3CA P42336 1/20 0.39
CFTR P13569 2/20 0.39
MKNK1 Q9BUB5 3/20 0.38
PARP1 P09874 2/20 0.38
NAPEPLD Q6IQ20 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36

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
SCHEMBL24378656 0.90 ALDH1A1 (0.42) ALDH1A1GAAKDM4EGLAMALT1
SCHEMBL24378573 0.88 ALDH1A1 (0.42) ALDH1A1GAAKDM4EGLACFTR
SCHEMBL22718383 0.81 CNR2 (0.39) ALDH1A1GAAKDM4EGLAPIK3CA
SCHEMBL22718319 0.80 KMO (0.44) ALDH1A1KDM4EPIK3CA
SCHEMBL27009137 0.78 HPGD (0.53) ALDH1A1KDM4E
SCHEMBL22727800 0.78 CNR2 (0.39) ALDH1A1GAAKDM4EGLACFTR
SCHEMBL13815641 0.78 PIK3CA (0.45) ALDH1A1KDM4EPIK3CA
SCHEMBL27009144 0.75 HPGD (0.49) ALDH1A1KDM4EPIK3CACFTRMKNK1
SCHEMBL24378422 0.75 KDM4E (0.42) ALDH1A1GAAKDM4EGLAPIK3CA
SCHEMBL24378634 0.72 HPGD (0.43) ALDH1A1GAAKDM4EPIK3CA

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
WO-2022086993-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC (US) 2022-04-28 WO disclosed