SCHEMBL21391326

SCHEMBL21391326

Cc1ccc(NC(=O)c2ccccc2)cc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.57
CSF1R P07333 1/20 0.57
PDGFRB P09619 1/20 0.57
DDR1 Q08345 1/20 0.57
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 1/20 0.51
TOP2A P11388 1/20 0.50
CCR8 P51685 1/20 0.49
GPR119 Q8TDV5 1/20 0.47
ABL1 P00519 2/20 0.47
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47

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
SCHEMBL20707292 0.88 KIT (0.75) KITCSF1RPDGFRBDDR1KMT2A
SCHEMBL28320364 0.85 KIT (0.54) KITCSF1RPDGFRBDDR1KDM4E
SCHEMBL21391331 0.82 KIT (0.77) KITCSF1RPDGFRBDDR1KMT2A
SCHEMBL21391333 0.81 KIT (0.58) KITCSF1RPDGFRBDDR1KMT2A
SCHEMBL21385153 0.80 KIT (0.66) KITCSF1RPDGFRBDDR1KMT2A
SCHEMBL29634986 0.80 KIT (0.66) KITCSF1RPDGFRBDDR1KMT2A
SCHEMBL21391340 0.80 KIT (0.59) KITCSF1RPDGFRBDDR1KMT2A
SCHEMBL21391338 0.80 KIT (0.66) KITCSF1RPDGFRBDDR1KDM4E
SCHEMBL21765007 0.80 KDM1A (0.57) KDM4EPKMKMT2AGPR119PDE4A
SCHEMBL21391327 0.79 KMT2A (0.59) KITCSF1RPDGFRBDDR1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110283160-B PDGFR kinase inhibitor 中国科学院合肥物质科学研究院 2022-04-29 CN disclosed
WO-2019178801-A1 NOVEL PHENOXY PIPERIDINE DERIVATIVE AND USES THEREOF 中国科学院合肥物质科学研究院 2019-09-26 WO disclosed