SCHEMBL20069760

SCHEMBL20069760

COc1c(F)cc(F)cc1C(=O)NC1(C)CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 10/20 0.45
CCR3 P51677 1/20 0.38
DRD2 P14416 1/20 0.38
GPR6 P46095 1/20 0.37
USP30 Q70CQ3 1/20 0.37
HTR1F P30939 1/20 0.35
MCHR1 Q99705 1/20 0.35
DRD3 P35462 1/20 0.34

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
SCHEMBL20147559 0.87 RET (0.43) RETCCR3DRD2GPR6USP30
SCHEMBL20147990 0.87 RET (0.43) RETCCR3DRD2GPR6USP30
SCHEMBL20069757 0.82 RET (0.43) RETCCR3USP30
SCHEMBL20069763 0.81 PIN1 (0.48) RETCCR3
SCHEMBL20068927 0.80 CCR3 (0.45) RETCCR3DRD2USP30HTR1F
SCHEMBL20070357 0.79 RET (0.47) RETCCR3GPR6USP30
SCHEMBL20069668 0.76 MAPK1 (0.44) RETCCR3HTR1FMCHR1
SCHEMBL20068931 0.76 RET (0.47) RETCCR3DRD2
SCHEMBL20069734 0.75 RET (0.50) RETCCR3
SCHEMBL22857021 0.74 USP30 (0.39) RETCCR3USP30

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