SCHEMBL23905240

SCHEMBL23905240

COc1cc(C(C)C)cc2cc(N)cnc12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.38
P2RX2 Q9UBL9 10/20 0.38
DHFR P00374 2/20 0.36
HPGDS O60760 1/20 0.33
CRHR1 P34998 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
SCHEMBL26762020 0.81 ALDH1A1 (0.40) P2RX3P2RX2HPGDSCRHR1
SCHEMBL23717026 0.76 EGFR (0.38) P2RX3P2RX2DHFRHPGDSCRHR1
SCHEMBL25113960 0.74 CRHR1 (0.40) P2RX3P2RX2CRHR1
SCHEMBL20666239 0.73 DYRK1A (0.48)
SCHEMBL23905356 0.73 CA12 (0.47) HPGDS
SCHEMBL2134025 0.72 HPGDS (0.60) HPGDS
SCHEMBL23717463 0.70 CASR (0.34) CRHR1
SCHEMBL2609307 0.70 HPGDS (0.57) HPGDS
SCHEMBL10080963 0.69 P2RX3 (0.43) P2RX3P2RX2DHFR
SCHEMBL23510806 0.69 P2RX3 (0.40) P2RX3P2RX2

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed