SCHEMBL31600565

SCHEMBL31600565

Cc1cn2cc(NC(=O)N3CCc4c(N5CCN(C(=O)OC(C)(C)C)C6(CC6)C5)ccnc43)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.36
RET P07949 1/20 0.34
NAMPT P43490 9/20 0.33
MCHR1 Q99705 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MTOR P42345 1/20 0.31
WNT3A P56704 2/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30

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
SCHEMBL31600340 0.92 MEN1 (0.34) NAMPTMCHR1MEN1MAPTTSHR
SCHEMBL31600469 0.91 MCHR1 (0.36) JAK3RETNAMPTMCHR1MTOR
SCHEMBL31600156 0.90 JAK3 (0.35) JAK3RETMEN1MAPTTSHR
SCHEMBL31600740 0.89 JAK3 (0.35) JAK3RETWNT3A
SCHEMBL31600536 0.89 JAK3 (0.35) JAK3RETNAMPTMAPTWNT3A
SCHEMBL31600336 0.88 JAK3 (0.34) JAK3RET
SCHEMBL31600530 0.88 JAK3 (0.34) JAK3RETNAMPT
SCHEMBL31600512 0.88 MEN1 (0.43) NAMPTMCHR1MEN1MAPTTSHR
SCHEMBL31600523 0.86 JAK3 (0.35) JAK3RETWNT3A
SCHEMBL31600195 0.86 JAK3 (0.35) JAK3RET

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-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed