SCHEMBL27824924

SCHEMBL27824924

C[C](C)CN1CCN(Cc2cc(N)ccn2)C(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CASP1 P29466 1/20 0.33
CASP3 P42574 1/20 0.33
CASP9 P55211 1/20 0.33
CASP8 Q14790 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
BTK Q06187 3/20 0.33
P2RX7 Q99572 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL28786467 0.82 KDM5C (0.41) KMT2AKDM5CKDM4COPRD1
SCHEMBL28786528 0.77 LMNA (0.45) F10
SCHEMBL27804129 0.77 MAPK1 (0.60) F10MAPK1KMT2ABTKP2RX7
SCHEMBL3396609 0.76 PIK3CD (0.41) F10PRMT5WDR77KMT2AKDM5C
SCHEMBL27915879 0.74 P2RX7 (0.34) PRMT5WDR77MAPK1KMT2AKDM5C
SCHEMBL3396399 0.69 LMNA (0.51) KMT2AKDM5CKDM4C
SCHEMBL28790341 0.68 L3MBTL1 (0.43) OPRD1
SCHEMBL28237788 0.67 GFER (0.41) KMT2AP2RX7
SCHEMBL14896745 0.67 CXCR4 (0.50) KMT2AKDM5CKDM4C
SCHEMBL27591590 0.67 F10 (0.54) F10CASP1CASP3CASP9CASP8

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
CN-101981036-A Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2011-02-23 CN disclosed