SCHEMBL23201599

SCHEMBL23201599

O=C(N[C@@H]1CCNC1)c1cccc(-c2cccnc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.63
IRAK4 Q9NWZ3 3/20 0.51
CDK2AP1 O14519 1/20 0.49
CHEK1 O14757 1/20 0.49
CNR2 P34972 4/20 0.49
DYRK1A Q13627 4/20 0.48
WNT1 P04628 3/20 0.48
USP30 Q70CQ3 2/20 0.46
PARP1 P09874 1/20 0.43
NRAS P01111 1/20 0.43
LCK P06239 1/20 0.43
RET P07949 1/20 0.43
PDGFRB P09619 1/20 0.43
FLT3 P36888 1/20 0.43
CDK7 P50613 1/20 0.43
IRAK1 P51617 1/20 0.43
CCNH P51946 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 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
SCHEMBL31188553 0.79 IRAK4 (0.53) PIM1IRAK4CNR2DYRK1AWNT1
SCHEMBL31188580 0.78 DGAT2 (0.53) PIM1CDK2AP1CHEK1DYRK1AWNT1
SCHEMBL18918839 0.78 ULK1 (0.51) PIM1CNR2USP30PARP1
SCHEMBL4221004 0.78 ALDH1A1 (0.59) CDK2AP1CHEK1DYRK1AWNT1ALDH1A1
SCHEMBL4221000 0.78 ALDH1A1 (0.59) CDK2AP1CHEK1DYRK1AWNT1ALDH1A1
SCHEMBL16731036 0.78 ALDH1A1 (0.59) CDK2AP1CHEK1DYRK1AWNT1ALDH1A1
SCHEMBL14688609 0.78 PIM1 (1.00) PIM1DYRK1AWNT1
SCHEMBL23201601 0.78 USP30 (0.57) PIM1IRAK4CNR2DYRK1AWNT1
SCHEMBL31188609 0.78 USP30 (0.57) PIM1IRAK4CNR2DYRK1AWNT1
SCHEMBL23201605 0.78 USP30 (0.57) PIM1IRAK4CNR2DYRK1AWNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802500-B1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2026-05-27 EP claimed
EP-3802500-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2021-04-14 EP claimed
EP-3802500-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2021-04-14 EP disclosed