SCHEMBL25048167

SCHEMBL25048167

C=C(C)CCNCCCNC[C@@H]1CC[C@H](n2cc(CC)c3c(Cl)ncnc32)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 5/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ABL2 P42684 1/20 0.33
▸ IGF1R P08069 2/20 0.32
▸ METTL3 Q86U44 1/20 0.30
▸ ADK P55263 1/20 0.30
▸ SAT1 P21673 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
SCHEMBL25048259 0.81 ADCY5 (0.30) ADCY5ABL1EGFRABL2
SCHEMBL25047658 0.81 ADCY5 (0.33) ADCY5ABL1EGFRABL2IGF1R
SCHEMBL25047923 0.81 ABL1 (0.41) ADCY5ABL1EGFRABL2IGF1R
SCHEMBL25048108 0.81 METTL3 (0.39) ADCY5ABL1EGFRABL2IGF1R
SCHEMBL25048517 0.81 ABL1 (0.40) ADCY5ABL1EGFRABL2IGF1R
SCHEMBL25049103 0.80 ADK (0.38) ADCY5ABL1EGFRABL2IGF1R
SCHEMBL25048205 0.80 ABL1 (0.32) ADCY5ABL1EGFRABL2
SCHEMBL25047595 0.80 ABL1 (0.32) ADCY5ABL1EGFRABL2METTL3
SCHEMBL25046672 0.79 ABL1 (0.40) ADCY5ABL1EGFRABL2IGF1R
SCHEMBL25048840 0.79 ABL1 (0.38) ADCY5ABL1EGFRABL2IGF1R

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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