SCHEMBL6777400

SCHEMBL6777400

Cc1nc(N)c2nc(C)n(CCNC(=O)Nc3cccc(C#N)c3)c2c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SETD7 Q8WTS6 1/20 0.42
HTR2A P28223 3/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
MCHR1 Q99705 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
SCHEMBL6776742 0.95 CCR3 (0.48) CCR3SMN1; SMN2NPC1RAB9AHTR2A
SCHEMBL6773506 0.86 NPC1 (0.47) CCR3SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6776784 0.86 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4EGLAGAA
SCHEMBL6773218 0.85 MCHR1 (0.47) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6777152 0.85 MAPT (0.45) CCR3SMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL6782875 0.85 MAPT (0.47) CCR3SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6776089 0.83 CCR3 (0.44) CCR3SMN1; SMN2NPC1RAB9ASETD7
SCHEMBL6783335 0.81 CCR3 (0.46) CCR3SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6897844 0.81 CCR3 (0.46) CCR3SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6773077 0.80 MCHR1 (0.49) GAAMCHR1

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-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed