SCHEMBL24920554

SCHEMBL24920554

CN1CCc2nc(N3CCNCC3)ncc2C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.50
MAPT P10636 6/20 0.50
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 3/20 0.48
HSP90AB1 P08238 3/20 0.46
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CYP2C19 P33261 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSP90AA1 P07900 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
SCHEMBL24920545 0.89 POLB (0.46) LMNAMAPTPOLBSMN1; SMN2TP53
SCHEMBL24920528 0.88 LMNA (0.61) LMNAMAPTPOLBTP53HSP90AB1
SCHEMBL24920531 0.83 HSP90AB1 (0.56) LMNAMAPTPOLBTP53HSP90AB1
SCHEMBL26066293 0.82 POLB (0.46) LMNAMAPTPOLBSMN1; SMN2TP53
SCHEMBL24922040 0.81 LMNA (0.44) LMNAMAPTPOLBSMN1; SMN2TP53
SCHEMBL24920540 0.80 LMNA (0.47) LMNAMAPTPOLBTP53HSP90AB1
SCHEMBL25677916 0.79 HTR2C (0.56) LMNAMAPTPOLBSMN1; SMN2HSP90AB1
SCHEMBL8898686 0.79 SMN1; SMN2 (0.54) LMNAMAPTPOLBSMN1; SMN2TP53
SCHEMBL30405241 0.79 MAPT (0.52) LMNAMAPTPOLBSMN1; SMN2TP53
SCHEMBL28516998 0.79 MAPT (0.52) LMNAMAPTPOLBSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234031-A2 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. (US) 2023-08-30 EP disclosed
WO-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed