SCHEMBL31206321

SCHEMBL31206321

C=Cc1nn(C2CCCCO2)c2cnccc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
IDO1 P14902 1/20 0.37
RET P07949 1/20 0.36
ATR Q13535 12/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL30786255 0.84 MAP3K5 (0.36) CYP4F2CYP4A11IDO1RETATR
SCHEMBL31131749 0.81 CYP4F2 (0.40) CYP4F2CYP4A11IDO1RETATR
SCHEMBL24552673 0.80 CYP4F2 (0.35) CYP4F2CYP4A11RETATRRXRA
SCHEMBL29732489 0.79 RET (0.36) CYP4F2CYP4A11RETRXRARXRB
SCHEMBL30570060 0.79 ALDH1A1 (0.39) CYP4F2CYP4A11RETATRRXRA
SCHEMBL24552691 0.79 RET (0.36) CYP4F2CYP4A11RETRXRARXRB
SCHEMBL31391657 0.79 CYP4F2 (0.39) CYP4F2CYP4A11IDO1RETATR
SCHEMBL14493344 0.77 CYP4F2 (0.37) CYP4F2CYP4A11RETATRRXRA
SCHEMBL30673111 0.77 MAPT (0.36) CYP4F2CYP4A11RETATRRXRA
SCHEMBL26924742 0.77 MAPT (0.36) CYP4F2CYP4A11RETATRRXRA

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-2024229091-A1 EGFR INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2024-11-07 WO disclosed