SCHEMBL7488587

SCHEMBL7488587

Cc1c(CN2CCN(CC=O)CC2)ccnc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDR P35968 1/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
METAP2 P50579 1/20 0.35
BCL2L1 Q07817 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MPI P34949 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.33

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
SCHEMBL7495227 0.83 KMT2A (0.40) MEN1KMT2AKDRBCL2L1NPSR1
SCHEMBL27565020 0.82 MEN1 (0.34) MEN1KMT2AKDRDRD2DRD4
SCHEMBL6180952 0.80 KMT2A (0.53) MEN1KMT2AKDRNPSR1NPC1
SCHEMBL27565019 0.76 MEN1 (0.41) MEN1KMT2AKDRDRD2DRD4
SCHEMBL1119082 0.74 FFAR1 (0.34) ALDH1A1
SCHEMBL28868529 0.73 PDCD1 (0.52) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL11965050 0.69 FFAR1 (0.37) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL27565013 0.68 DRD2 (0.34) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL2367290 0.67 DRD2 (0.32) DRD2DRD4DRD3ALDH1A1
SCHEMBL27318730 0.66 ALDH1A1 (0.49) MEN1KMT2AMETAP2NPSR1NPC1

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-1218376-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2002-11-20 EP disclosed
EP-1218376-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-03 EP disclosed
WO-2001017995-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-03-15 WO disclosed