SCHEMBL23201601

SCHEMBL23201601

CN1CC[C@@H](NC(=O)c2cccc(-c3cccnc3)n2)C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.57
PIM1 P11309 2/20 0.49
IRAK4 Q9NWZ3 3/20 0.49
WNT1 P04628 2/20 0.48
DYRK1A Q13627 2/20 0.48
CNR2 P34972 4/20 0.47
HRH2 P25021 2/20 0.46
HRH1 P35367 2/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
KDM5A P29375 1/20 0.43

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
SCHEMBL23201605 1.00 USP30 (0.57) USP30PIM1IRAK4WNT1DYRK1A
SCHEMBL31188609 1.00 USP30 (0.57) USP30PIM1IRAK4WNT1DYRK1A
SCHEMBL29963673 1.00 USP30 (0.57) USP30PIM1IRAK4WNT1DYRK1A
SCHEMBL31188553 0.91 IRAK4 (0.53) USP30PIM1IRAK4WNT1DYRK1A
SCHEMBL357738 0.80 ALDH1A1 (0.61) HRH2HRH1CHRNB2CHRNA4KDM5A
SCHEMBL10224770 0.80 ALDH1A1 (0.61) HRH2HRH1CHRNB2CHRNA4KDM5A
SCHEMBL31188493 0.80 HRH2 (0.46) USP30WNT1DYRK1AHRH2HRH1
SCHEMBL18918856 0.78 USP30 (0.52) USP30PIM1CNR2CHRNB2CHRNB4
SCHEMBL23201599 0.78 PIM1 (0.63) USP30PIM1IRAK4WNT1DYRK1A
SCHEMBL31162221 0.77 MC2R (0.54) USP30IRAK4

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-3802500-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2021-04-14 EP claimed