SCHEMBL25046633

SCHEMBL25046633

CNc1ncnc2c1ccn2C1CCC(CNCCCNCCc2ccc(Oc3ccc(Cl)cc3)c(F)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 1/20 0.38
▸ PRMT5 O14744 14/20 0.34
▸ WDR77 Q9BQA1 14/20 0.34
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ BMPR1B O00238 1/20 0.31
▸ BMPR1A P36894 1/20 0.31
▸ ACVR1B P36896 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ ACVRL1 P37023 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ IL6 P05231 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ SLC6A2 P23975 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
SCHEMBL25046632 0.87 PRMT5 (0.46) PRMT5WDR77
SCHEMBL25046612 0.82 PRMT5 (0.40) PRMT5WDR77
SCHEMBL25049354 0.82 PRMT5 (0.36) PRMT5WDR77
SCHEMBL25048261 0.82 IGF1R (0.36) PIP4K2APRMT5WDR77
SCHEMBL25047713 0.82 PRMT5 (0.41) PIP4K2APRMT5WDR77
SCHEMBL25049349 0.81 PRMT5 (0.35) PIP4K2APRMT5WDR77CCNA2CDK2
SCHEMBL25048329 0.80 PRMT5 (0.40) PIP4K2APRMT5WDR77JAK2JAK1
SCHEMBL25048728 0.80 PRMT5 (0.39) PIP4K2APRMT5WDR77JAK2JAK1
SCHEMBL31617999 0.78 PRMT5 (0.40) PRMT5WDR77
SCHEMBL25046638 0.76 PRMT5 (0.38) PIP4K2APRMT5WDR77

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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