SCHEMBL29480889

SCHEMBL29480889

Cc1c(C=O)ccc2c1cc(C#N)n2CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 2/20 0.43
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ NSD2 O96028 2/20 0.36
▸ CETP P11597 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ GPR119 Q8TDV5 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 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
SCHEMBL19358789 1.00 DTYMK (0.43) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL19358788 0.88 SETD7 (0.37) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL16156345 0.88 PLK1 (0.42) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL31579034 0.86 CNR2 (0.44) CHRM2CHRM4CHRM1CHRM3CNR2
SCHEMBL20847265 0.86 CNR2 (0.36) CHRM2CHRM4CHRM1CHRM3CNR2
SCHEMBL29480900 0.86 CNR2 (0.36) CHRM2CHRM4CHRM1CHRM3CNR2
SCHEMBL19358796 0.86 CNR2 (0.36) CHRM2CHRM4CHRM1CHRM3CNR2
SCHEMBL17596556 0.83 GPR119 (0.40) CNR2IRAK4NSD2CETPGPR119
SCHEMBL19358786 0.81 P2RX7 (0.37) LMNAGLAL3MBTL1
SCHEMBL17596606 0.80 GPR119 (0.37) CNR2GPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232020-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH INHIBITORS OF MENIN Kura Oncology, Inc. (US) 2023-08-30 — — EP disclosed
WO-2022086986-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH INHIBITORS OF MENIN KURA ONCOLOGY, INC. (US) 2022-04-28 — — WO disclosed
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