SCHEMBL24322977

SCHEMBL24322977

Cc1nn(C2CCCCO2)c2c(C)csc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
RET P07949 5/20 0.35
PDE4B Q07343 1/20 0.34
PDE7A Q13946 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ATR Q13535 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE8B O95263 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ABL1 P00519 1/20 0.30

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
SCHEMBL24322976 0.87 CYP4F2 (0.37) GAACYP4F2CYP4A11RETPDE4B
SCHEMBL24322359 0.85 RET (0.37) GAACYP4F2CYP4A11RETPDE4B
SCHEMBL24322176 0.83 CYP4F2 (0.36) GAACYP4F2CYP4A11RETPDE4B
SCHEMBL25698640 0.78 PDE4B (0.39) GAACYP4F2CYP4A11RETPDE4B
SCHEMBL24322975 0.76 CYP4F2 (0.39) GAACYP4F2CYP4A11RETPDE4B
SCHEMBL24322361 0.75 PDE4B (0.37) GAACYP4F2CYP4A11RETPDE4B
SCHEMBL24322191 0.73 CYP4F2 (0.36) GAACYP4F2CYP4A11RETPDE4B
SCHEMBL24013145 0.71 CYP4F2 (0.49) GAACYP4F2CYP4A11RETPDE7A
SCHEMBL21152701 0.70 GAA (0.51) GAACYP4F2CYP4A11RETALDH1A1
SCHEMBL15445676 0.69 GAA (0.47) GAACYP4F2CYP4A11RETALDH1A1

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-2022061273-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS, INCORPORATED (US) 2022-03-24 WO disclosed