SCHEMBL17667367

SCHEMBL17667367

CC(C)(C)N(C(=O)O)C1CCCN(c2nc(Cl)nc3c2CCC3)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.36
GBA1 P04062 3/20 0.35
CTSS P25774 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PRKDC P78527 2/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NR4A1 P22736 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 1/20 0.30
IGF1R P08069 1/20 0.30

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
SCHEMBL17667365 1.00 HRH4 (0.36) HRH4GBA1CTSSMEN1KMT2A
SCHEMBL17667302 0.98 HRH4 (0.36) HRH4GBA1CTSSMEN1KMT2A
SCHEMBL17667301 0.98 HRH4 (0.36) HRH4GBA1CTSSMEN1KMT2A
SCHEMBL17628075 0.86 PRKDC (0.39) HRH4GBA1CTSSMEN1KMT2A
SCHEMBL17667289 0.86 HRH4 (0.35) HRH4GBA1CTSSMEN1KMT2A
SCHEMBL17627935 0.84 PRKDC (0.39) HRH4GBA1MEN1KMT2APRKDC
SCHEMBL17667275 0.84 HRH4 (0.35) HRH4GBA1CTSSMEN1KMT2A
SCHEMBL17667288 0.81 SPR (0.45) HRH4GBA1CTSSPRKDCLMNA
SCHEMBL17628349 0.81 HRH4 (0.41) HRH4CTSSMEN1KMT2APRKDC
SCHEMBL17667274 0.79 SPR (0.43) HRH4GBA1PRKDC

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-3006439-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR Yuhan Corporation (KR) 2016-04-13 EP disclosed