SCHEMBL20069355

SCHEMBL20069355

COc1nc(OC2CCN(C)C2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.41
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
USP2 O75604 1/20 0.38
USP1 O94782 1/20 0.38
USP8 P40818 1/20 0.38
OTUB1 Q96FW1 1/20 0.38
USP36 Q9P275 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR1F P30939 1/20 0.37

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
SCHEMBL20152049 0.84 RET (0.39) RET
SCHEMBL20147445 0.84 RET (0.42) RETPIK3CD
SCHEMBL20137580 0.82 EGFR (0.41) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20137579 0.82 EGFR (0.41) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29686284 0.78 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28671527 0.78 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28671526 0.78 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20069362 0.77 CHRM4 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGCHRM2
SCHEMBL28680567 0.75 HTR1A (0.44) HTR2CHTR2BCHRM1
SCHEMBL28680570 0.75 HTR1A (0.44) HTR2CHTR2BCHRM1

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