SCHEMBL25048301

SCHEMBL25048301

Cc1ncnc2c1ccn2C1CCC(C(=O)NCCNCCc2cccc(Oc3ccccc3)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR8 P51685 3/20 0.40
▸ PRMT5 O14744 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ABL2 P42684 1/20 0.36
▸ CHKA P35790 1/20 0.36
▸ MTNR1A P48039 3/20 0.36
▸ MTNR1B P49286 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ FDFT1 P37268 1/20 0.35
▸ LIMK2 P53671 1/20 0.34
▸ FFAR1 O14842 2/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL25048705 0.90 CCR8 (0.40) CCR8ABL1EGFRABL2CHKA
SCHEMBL25047841 0.86 MEN1 (0.37) CCR8PRMT5KDM4EFDFT1FFAR1
SCHEMBL25048298 0.85 PRMT5 (0.42) PRMT5
SCHEMBL25048777 0.81 PRMT5 (0.41) PRMT5FDFT1
SCHEMBL25049350 0.79 IGF1R (0.38) CCR8PRMT5ABL1EGFRABL2
SCHEMBL31618015 0.77 PRMT5 (0.44) PRMT5
SCHEMBL25049348 0.75 IGF1R (0.37) CCR8PRMT5FDFT1
SCHEMBL25048261 0.75 IGF1R (0.36) PRMT5ABL1EGFRABL2FFAR1
SCHEMBL25047840 0.75 PRMT5 (0.40) PRMT5FDFT1
SCHEMBL25048701 0.75 PRMT5 (0.40) PRMT5KDM4EFFAR1

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-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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