SCHEMBL6774592

SCHEMBL6774592

O=C(Nc1ncc2cn[nH]c2n1)Nc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
RAB9A P51151 5/20 0.51
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 9/20 0.50
KMT2A Q03164 9/20 0.50
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 4/20 0.50
CASP3 P42574 3/20 0.50
SENP7 Q9BQF6 3/20 0.50
SENP8 Q96LD8 2/20 0.50
POLB P06746 3/20 0.48
CYP1A2 P05177 2/20 0.48
PAK1 Q13153 2/20 0.47
ALOX15 P16050 2/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL4686975 0.77 PAK1 (0.62) MAPTRAB9AHTTSMN1; SMN2MEN1
SCHEMBL10458447 0.74 KDM4E (0.72) MAPTRAB9AHTTSMN1; SMN2MEN1
SCHEMBL5017650 0.73 NPC1 (0.55) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8173925 0.71 CYP1A2 (0.58) RAB9AKDM4ENPC1CYP1A2ALOX15
SCHEMBL31412961 0.70 ROCK2 (0.47) KDM4EPOLBCYP1A2GAA
SCHEMBL5015389 0.70 DEGS1 (0.48) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL10540658 0.70 MEN1 (0.61) MAPTRAB9AHTTSMN1; SMN2MEN1
SCHEMBL5013515 0.68 CCNE1 (0.50) MAPTRAB9AMEN1KMT2APOLB
SCHEMBL5014078 0.68 SMN1; SMN2 (0.57) MAPTRAB9AHTTSMN1; SMN2KMT2A
SCHEMBL5015439 0.68 TSHR (0.56) MAPTRAB9AHTTSMN1; SMN2MEN1

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
US-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US disclosed