SCHEMBL25227702

SCHEMBL25227702

O=C(O)NC1CCCN(C(=O)NCc2ccccn2)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ CASP3 P42574 1/20 0.45

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
SCHEMBL25538211 0.85 BTK (0.50) —
SCHEMBL30398110 0.85 BTK (0.50) —
SCHEMBL13873845 0.76 EPHX2 (0.61) HPGDRECQLMEN1KMT2ATSHR
SCHEMBL13160339 0.75 EPHX2 (0.54) HPGDRECQLMEN1KMT2ATSHR
SCHEMBL13873816 0.74 PRMT5 (0.50) HPGDRECQLMEN1KMT2ATSHR
SCHEMBL13873834 0.74 EPHX2 (0.58) HPGDRECQLMEN1KMT2ATSHR
SCHEMBL1312845 0.72 TP53 (0.56) HPGDRECQLMEN1KMT2ASMN1; SMN2
SCHEMBL13125273 0.72 POLB (0.54) HPGDRECQLMEN1KMT2ATSHR
SCHEMBL1313160 0.72 SMN1; SMN2 (0.56) HPGDMEN1KMT2AGAASMN1; SMN2
SCHEMBL13621178 0.72 SMN1; SMN2 (0.56) HPGDMEN1KMT2AGAASMN1; SMN2

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-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 — — WO disclosed
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