SCHEMBL28314967

SCHEMBL28314967

C[C@@H](OC(N)=O)C(=O)NC1(Cc2ccccn2)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.40
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A4 P31645 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL20148111 0.88 RET (0.47) RETCYP1A2CYP2D6MAPTTSHR
SCHEMBL28660592 0.81 CYP1A2 (0.39) RETCYP1A2CYP2D6MAPTTSHR
SCHEMBL20069291 0.79 MEN1 (0.42) RETCYP2D6TSHRSMN1; SMN2POLB
SCHEMBL28664232 0.76 SMN1; SMN2 (0.41) CYP2D6SMN1; SMN2POLBALDH1A1NPC1
SCHEMBL20070610 0.76 RET (0.44) RETCYP2D6MAPTSMN1; SMN2POLB
SCHEMBL20069627 0.74 RET (0.52) RETCYP1A2CYP2D6MAPTTSHR
SCHEMBL25502428 0.74 RET (0.51) RETCYP1A2CYP2D6MAPTTSHR
SCHEMBL20069388 0.73 TLR2 (0.39) RETKMT2A
SCHEMBL20070066 0.73 RET (0.47) RETTSHRPOLBALDH1A1NPC1
SCHEMBL20137436 0.73 RET (0.51) RETCYP1A2CYP2D6MAPTTSHR

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
CN-110177786-B Substituted pyrazolo [1,5-A ] pyridine compounds as RET kinase inhibitors 阿雷生物药品公司 2021-12-14 CN disclosed
CN-110177786-A Pyrazolo [1,5-A] pyridine compounds being substituted are as RET kinase inhibitor 阿雷生物药品公司 2019-08-27 CN disclosed