SCHEMBL20684928

SCHEMBL20684928

CC(C)(C)OC(=O)N1CCN(Cc2cnc(NC=O)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F13A1 P00488 2/20 0.42
▸ TGM2 P21980 2/20 0.42
▸ TGM1 P22735 2/20 0.42
▸ CCNK O75909 1/20 0.40
▸ CDK12 Q9NYV4 1/20 0.40
▸ TBK1 Q9UHD2 9/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL18291489 0.80 CHRM2 (0.46) CCNKCDK12TBK1CHRM2CHRM4
SCHEMBL28705806 0.79 GPR119 (0.54) CCNKCDK12CHRM2CHRM4CHRM1
SCHEMBL30521135 0.79 GPR119 (0.54) CCNKCDK12CHRM2CHRM4CHRM1
SCHEMBL18083762 0.76 RXFP1 (0.45) CCNKCDK12ACKR3CHRM2CHRM4
SCHEMBL20160543 0.75 TP53 (0.48) CCNKCDK12CHRM2CHRM4CHRM1
SCHEMBL4065096 0.75 WNT3A (0.55) F13A1TGM2TGM1CCNKDDB1
SCHEMBL20788464 0.74 VEGFA (0.53) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL20684949 0.74 VEGFA (0.50) F13A1TGM2TGM1CHRM2CHRM4
SCHEMBL12367628 0.74 KDM4E (0.45) CCNKCDK12CHRM2CHRM4CHRM1
SCHEMBL24696026 0.73 CHRM2 (0.47) TBK1ACKR3CHRM2CHRM4CHRM1

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
EP-3271348-B1 NEW FYN KINASE INHIBITORS Rottapharm Biotech Srl (IT) 2019-01-30 — — EP disclosed
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