SCHEMBL21187504

SCHEMBL21187504

Cc1cc(C2CC2)nn1C1CCCCO1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.49
CYP4F2 P78329 4/20 0.43
CYP4A11 Q02928 4/20 0.43
POLQ O75417 1/20 0.42
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
ATR Q13535 3/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CYP2C19 P33261 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL14726450 0.83 GAA (0.47) RETCYP4F2CYP4A11GAAALDH1A1
SCHEMBL26112762 0.82 RET (0.45) RETCYP4F2CYP4A11POLQGAA
SCHEMBL21185044 0.81 RET (0.50) RETCYP4F2CYP4A11POLQGAA
SCHEMBL3500980 0.80 ALDH1A1 (0.49) RETCYP4F2CYP4A11GAAALDH1A1
SCHEMBL22449667 0.80 CYP4F2 (0.44) RETCYP4F2CYP4A11GAAALDH1A1
SCHEMBL19204921 0.80 CYP4F2 (0.44) RETCYP4F2CYP4A11GAAALDH1A1
SCHEMBL21191295 0.79 CYP4F2 (0.43) RETCYP4F2CYP4A11GAAALDH1A1
SCHEMBL25407969 0.78 RET (0.43) RETCYP4F2CYP4A11POLQGAA
SCHEMBL25297100 0.78 RET (0.43) RETCYP4F2CYP4A11POLQGAA
SCHEMBL14638243 0.78 CYP4F2 (0.43) RETCYP4F2CYP4A11GAAALDH1A1

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
WO-2019143977-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2019-07-25 WO disclosed
WO-2019143994-A1 SUBSTITUTED PYRAZOLYL[4,3-C]PYRIDINECOMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2019-07-25 WO disclosed