SCHEMBL6988665

SCHEMBL6988665

N=C(N)Nc1nc2cc(F)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.47
NPC1 O15118 6/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 2/20 0.45
PKM P14618 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP3A4 P08684 1/20 0.44
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
STAT1 P42224 1/20 0.40
F10 P00742 2/20 0.40
KDR P35968 2/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL10318990 0.85 CYP3A4 (0.63) MTORNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4686558 0.82 MEN1 (0.52) NPC1RAB9ASMN1; SMN2PKMCYP3A4
SCHEMBL2946951 0.82 RAB9A (0.45) MTORNPC1RAB9ASMN1; SMN2PKM
SCHEMBL5924163 0.82 RAB9A (0.45) NPC1RAB9AKDM4ECYP3A4MEN1
SCHEMBL11789066 0.81 MTOR (0.47) MTORNPC1RAB9ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL11786459 0.81 RAB9A (0.44) NPC1RAB9AKDM4ECYP3A4MEN1
SCHEMBL7410845 0.80 F10 (0.51) NPC1RAB9ASMN1; SMN2TP53PKM
Hydrochloric Acid SCHEMBL11786753 0.80 MTOR (0.46) MTORNPC1RAB9ASMN1; SMN2PKM
SCHEMBL16679801 0.79 MTOR (0.43) MTORNPC1RAB9ASMN1; SMN2TP53
SCHEMBL9893073 0.79 LMNA (0.63) MTORNPC1RAB9ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920314-B1 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORP (US) 2003-08-27 EP disclosed
EP-0920314-A4 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORP (US) 2001-08-16 EP disclosed
US-5981551-A GRANULOCYTE COLONY-STIMULATING FACTOR MIMETICS; TREATMENT OF NEUTROPENIA SMITHKLINE BEECHAM CORPORATION (US) 1999-11-09 US disclosed
EP-0920314-A1 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 1999-06-09 EP disclosed
WO-1997044033-A1 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-27 WO disclosed
US-3935314-A Anti-hypertensive compositions of benzimidazole derivatives BEECHAM GROUP LIMITED (EN) 1976-01-27 US disclosed