SCHEMBL20069658

SCHEMBL20069658

COc1ccc(C(=O)NC2(C)CCN(C)CC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.47
NNMT P40261 1/20 0.47
GABRA5 P31644 2/20 0.45
RET P07949 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
DGAT2 Q96PD7 1/20 0.43
KCNH2 Q12809 2/20 0.43
GABRA1 P14867 1/20 0.42
NAMPT P43490 1/20 0.41
GPR183 P32249 3/20 0.41
SLC18A3 Q16572 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
TEC P42680 1/20 0.40
TXK P42681 1/20 0.40
BTK Q06187 1/20 0.40
ITK Q08881 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL20206018 0.89 EGLN1 (0.46) EGLN1NNMTGABRA5RETCD274
SCHEMBL20147605 0.87 EGLN1 (0.45) EGLN1NNMTGABRA5RETCD274
SCHEMBL20158548 0.85 EGLN1 (0.44) EGLN1NNMTGABRA5RETCD274
SCHEMBL20068964 0.83 HDAC1 (0.51) EGLN1GABRA5RETGABRA1
SCHEMBL20070360 0.76 RET (0.46) RETMCHR1
SCHEMBL20070353 0.75 RET (0.42) EGLN1RETMCHR1
SCHEMBL20069785 0.75 TSHR (0.51)
SCHEMBL20069783 0.75 RET (0.44) RETMCHR1
SCHEMBL20153163 0.75 GPR183 (0.53) NNMTGABRA5RETKCNH2GPR183
SCHEMBL20069112 0.74 BDKRB1 (0.38) CD274MCHR1

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-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed