SCHEMBL22556954

SCHEMBL22556954

COC(=O)c1ccnc(-c2cccc(C#N)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.55
KDM4E B2RXH2 1/20 0.55
KDM6B O15054 1/20 0.55
KDM5C P41229 1/20 0.55
KDM2A Q9Y2K7 1/20 0.55
KDM3A Q9Y4C1 1/20 0.55
PLAU P00749 1/20 0.51
JMJD6 Q6NYC1 1/20 0.49
CLK4 Q9HAZ1 3/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GRM5 P41594 3/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
SRC P12931 1/20 0.46
KDM5B Q9UGL1 2/20 0.46
CDK8 P49336 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
SCHEMBL7822720 0.88 PLAU (0.61) PLAUMRGPRX4GABRG2GABRB3GABRA5
SCHEMBL29141521 0.86 KDM4E (0.57) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL22557561 0.84 KDM4C (0.61) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL4736456 0.82 CLK4 (0.49) CLK4ABL1BCRALDH1A1CYP1A2
SCHEMBL14226723 0.82 CLK4 (0.49) KDM4CCLK4GRM5CYP1A2CYP3A4
SCHEMBL14241381 0.82 GSK3B (0.49) KDM4CCLK4GRM5ALDH1A1CYP1A2
SCHEMBL2072525 0.82 HDAC2 (0.53) KDM4EPLAUCLK4GABRG2GABRB3
SCHEMBL60040 0.82 MRGPRX4 (0.56) PLAUMRGPRX4GRM5TSHR
SCHEMBL30444713 0.82 MRGPRX4 (0.56) PLAUMRGPRX4GRM5TSHR
SCHEMBL28493467 0.81 KDM4E (0.60) KDM4CKDM4EKDM6BKDM5CKDM2A

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-2020212351-A1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-10-22 WO disclosed